CID 15415117

Heptadecane, 7-methylene-

Structural Information

Molecular Formula
C18H36
SMILES
CCCCCCCCCCC(=C)CCCCCC
InChI
InChI=1S/C18H36/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h3-17H2,1-2H3
InChIKey
XGXGKWMBNLXJOI-UHFFFAOYSA-N
Compound name
7-methylideneheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

252.28171 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.28899 172.5
[M+Na]+ 275.27093 174.9
[M-H]- 251.27443 170.7
[M+NH4]+ 270.31553 189.9
[M+K]+ 291.24487 171.4
[M+H-H2O]+ 235.27897 166.2
[M+HCOO]- 297.27991 191.6
[M+CH3COO]- 311.29556 203.6
[M+Na-2H]- 273.25638 172.0
[M]+ 252.28116 177.1
[M]- 252.28226 177.1
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