CID 139591509

(z)-12-methyltetradec-3-enenitrile

Structural Information

Molecular Formula
C15H27N
SMILES
CCC(C)CCCCCCC/C=C\CC#N
InChI
InChI=1S/C15H27N/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16/h8,10,15H,3-7,9,11-13H2,1-2H3/b10-8-
InChIKey
MCWXJMCJFPSWBN-NTMALXAHSA-N
Compound name
(Z)-12-methyltetradec-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.21436 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.22164 154.4
[M+Na]+ 244.20358 160.4
[M-H]- 220.20708 154.1
[M+NH4]+ 239.24818 171.4
[M+K]+ 260.17752 157.4
[M+H-H2O]+ 204.21162 142.3
[M+HCOO]- 266.21256 171.6
[M+CH3COO]- 280.22821 205.8
[M+Na-2H]- 242.18903 156.2
[M]+ 221.21381 152.6
[M]- 221.21491 152.6
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.