CID 139591508

(z)-13-methyltetradec-3-enenitrile

Structural Information

Molecular Formula
C15H27N
SMILES
CC(C)CCCCCCCC/C=C\CC#N
InChI
InChI=1S/C15H27N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h8,10,15H,3-7,9,11-13H2,1-2H3/b10-8-
InChIKey
UJSKGYHYIDUPNM-NTMALXAHSA-N
Compound name
(Z)-13-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]+ 222.221636 154.4
[M+Na]+ 244.203578 160.4
[M-H]- 220.207084 154.1
[M+NH4]+ 239.248183 171.4
[M+K]+ 260.177518 157.4
[M+H-H2O]+ 204.211620 142.3
[M+HCOO]- 266.212561 171.6
[M+CH3COO]- 280.228211 205.8
[M+Na-2H]- 242.189026 156.2
[M]+ 221.21381142 152.6
[M]- 221.21490858 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.