CID 10957378

7z-heneicosene

Structural Information

Molecular Formula
C21H42
SMILES
CCCCCCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-21H2,1-2H3/b15-13-
InChIKey
SBHBIXWEZPXRMZ-SQFISAMPSA-N
Compound name
(Z)-henicos-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.32864 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.33592 185.3
[M+Na]+ 317.31786 186.7
[M-H]- 293.32136 182.8
[M+NH4]+ 312.36246 201.1
[M+K]+ 333.29180 181.9
[M+H-H2O]+ 277.32590 178.3
[M+HCOO]- 339.32684 204.3
[M+CH3COO]- 353.34249 211.2
[M+Na-2H]- 315.30331 184.4
[M]+ 294.32809 191.5
[M]- 294.32919 191.5
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.