CID 6446858

67329-06-0

Structural Information

Molecular Formula
C22H38N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC=C)/C)/C)C
InChI
InChI=1S/C22H38N2/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/h6,9,11,13H,1,7-8,10,12,14-19H2,2-5H3/b21-11+,22-13+
InChIKey
YCBSKSDBGSCAIW-ZGRPYONQSA-N
Compound name
1-prop-2-enyl-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

330.3035 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 191.0
[M+Na]+ 353.292718 191.6
[M-H]- 329.296224 188.9
[M+NH4]+ 348.337323 202.1
[M+K]+ 369.266658 185.9
[M+H-H2O]+ 313.300760 182.1
[M+HCOO]- 375.301701 202.1
[M+CH3COO]- 389.317351 215.1
[M+Na-2H]- 351.278166 185.2
[M]+ 330.30295142 187.9
[M]- 330.30404858 187.9
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.