CID 13456536

13z-heptacosene

Structural Information

Molecular Formula
C27H54
SMILES
CCCCCCCCCCCCC/C=C\CCCCCCCCCCCC
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/h25,27H,3-24,26H2,1-2H3/b27-25-
InChIKey
CXWCGEWKUWAPOE-RFBIWTDZSA-N
Compound name
(Z)-heptacos-13-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

patents stripe