CID 139591512

(z)-pentadec-3-enenitrile

Structural Information

Molecular Formula
C15H27N
SMILES
CCCCCCCCCCC/C=C\CC#N
InChI
InChI=1S/C15H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13H,2-11,14H2,1H3/b13-12-
InChIKey
YGMQUZOMXCDUDU-SEYXRHQNSA-N
Compound name
(Z)-pentadec-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.21436 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.221636 152.6
[M+Na]+ 244.203578 158.9
[M-H]- 220.207084 152.3
[M+NH4]+ 239.248183 169.7
[M+K]+ 260.177518 155.5
[M+H-H2O]+ 204.211620 140.5
[M+HCOO]- 266.212561 170.8
[M+CH3COO]- 280.228211 205.2
[M+Na-2H]- 242.189026 155.7
[M]+ 221.21381142 151.5
[M]- 221.21490858 151.5
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.