CID 6446208

1,4-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)piperazine

Structural Information

Molecular Formula
C34H58N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
InChI
InChI=1S/C34H58N2/c1-29(2)13-9-15-31(5)17-11-19-33(7)21-23-35-25-27-36(28-26-35)24-22-34(8)20-12-18-32(6)16-10-14-30(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-28H2,1-8H3/b31-17+,32-18+,33-21+,34-22+
InChIKey
YQDADZNIKYLCSK-OGXBVDAXSA-N
Compound name
1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.46 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.46728 237.7
[M+Na]+ 517.44922 233.5
[M-H]- 493.45272 233.8
[M+NH4]+ 512.49382 242.0
[M+K]+ 533.42316 225.2
[M+H-H2O]+ 477.45726 227.9
[M+HCOO]- 539.45820 242.4
[M+CH3COO]- 553.47385 249.1
[M+Na-2H]- 515.43467 222.8
[M]+ 494.45945 235.7
[M]- 494.46055 235.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.