CID 171118625

10z-heptadecenenitrile

Structural Information

Molecular Formula
C17H31N
SMILES
CCCCCC/C=C\CCCCCCCCC#N
InChI
InChI=1S/C17H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h7-8H,2-6,9-16H2,1H3/b8-7-
InChIKey
OWQVAJLXBGWUJG-FPLPWBNLSA-N
Compound name
(Z)-heptadec-10-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.24565 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.25293 160.3
[M+Na]+ 272.23487 165.9
[M-H]- 248.23837 159.7
[M+NH4]+ 267.27947 176.4
[M+K]+ 288.20881 162.0
[M+H-H2O]+ 232.24291 147.9
[M+HCOO]- 294.24385 177.9
[M+CH3COO]- 308.25950 210.6
[M+Na-2H]- 270.22032 162.5
[M]+ 249.24510 159.9
[M]- 249.24620 159.9
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.