CID 139591513

(z)-14-methylpentadec-3-enenitrile

Structural Information

Molecular Formula
C16H29N
SMILES
CC(C)CCCCCCCCC/C=C\CC#N
InChI
InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3/b11-9-
InChIKey
NYXFTJGURNRCKM-LUAWRHEFSA-N
Compound name
(Z)-14-methylpentadec-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.23 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 158.3
[M+Na]+ 258.219218 164.0
[M-H]- 234.222724 157.9
[M+NH4]+ 253.263823 174.8
[M+K]+ 274.193158 160.7
[M+H-H2O]+ 218.227260 146.1
[M+HCOO]- 280.228201 175.2
[M+CH3COO]- 294.243851 208.5
[M+Na-2H]- 256.204666 159.6
[M]+ 235.22945142 156.9
[M]- 235.23054858 156.9
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.