CID 6446875

Brn 0812467

Structural Information

Molecular Formula
C22H36N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC#C)/C)/C)C
InChI
InChI=1S/C22H36N2/c1-6-14-23-16-18-24(19-17-23)15-13-22(5)12-8-11-21(4)10-7-9-20(2)3/h1,9,11,13H,7-8,10,12,14-19H2,2-5H3/b21-11+,22-13+
InChIKey
QRCSGKAQXFAIQR-ZGRPYONQSA-N
Compound name
1-prop-2-ynyl-4-[(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

328.28784 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29512 182.4
[M+Na]+ 351.27706 185.6
[M-H]- 327.28056 179.3
[M+NH4]+ 346.32166 192.1
[M+K]+ 367.25100 179.0
[M+H-H2O]+ 311.28510 167.7
[M+HCOO]- 373.28604 188.8
[M+CH3COO]- 387.30169 218.9
[M+Na-2H]- 349.26251 177.0
[M]+ 328.28729 174.2
[M]- 328.28839 174.2
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.