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]+ 236.23728 158.3
[M+Na]+ 258.21922 164.0
[M-H]- 234.22272 157.9
[M+NH4]+ 253.26382 174.8
[M+K]+ 274.19316 160.7
[M+H-H2O]+ 218.22726 146.1
[M+HCOO]- 280.22820 175.2
[M+CH3COO]- 294.24385 208.5
[M+Na-2H]- 256.20467 159.6
[M]+ 235.22945 156.9
[M]- 235.23055 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.