CID 139591506

(z)-12-methyltridec-3-enenitrile

Structural Information

Molecular Formula
C14H25N
SMILES
CC(C)CCCCCCC/C=C\CC#N
InChI
InChI=1S/C14H25N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,14H,3-6,8,10-12H2,1-2H3/b9-7-
InChIKey
RKWOPJGPDIRMKB-CLFYSBASSA-N
Compound name
(Z)-12-methyltridec-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 150.5
[M+Na]+ 230.18792 156.9
[M-H]- 206.19142 150.4
[M+NH4]+ 225.23252 168.0
[M+K]+ 246.16186 154.1
[M+H-H2O]+ 190.19596 138.6
[M+HCOO]- 252.19690 168.0
[M+CH3COO]- 266.21255 203.1
[M+Na-2H]- 228.17337 152.7
[M]+ 207.19815 148.4
[M]- 207.19925 148.4
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.