CID 56936077

12z-heptacosene

Structural Information

Molecular Formula
C27H54
SMILES
CCCCCCCCCCCCCC/C=C\CCCCCCCCCCC
InChI
InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24,26-27H2,1-2H3/b25-23-
InChIKey
YJGFKGHRGHHESI-BZZOAKBMSA-N
Compound name
(Z)-heptacos-12-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.42255 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.42983 211.4
[M+Na]+ 401.41177 210.3
[M-H]- 377.41527 207.7
[M+NH4]+ 396.45637 223.8
[M+K]+ 417.38571 204.0
[M+H-H2O]+ 361.41981 203.3
[M+HCOO]- 423.42075 228.4
[M+CH3COO]- 437.43640 228.9
[M+Na-2H]- 399.39722 207.3
[M]+ 378.42200 220.0
[M]- 378.42310 220.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.