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]+ 222.22164 152.6
[M+Na]+ 244.20358 158.9
[M-H]- 220.20708 152.3
[M+NH4]+ 239.24818 169.7
[M+K]+ 260.17752 155.5
[M+H-H2O]+ 204.21162 140.5
[M+HCOO]- 266.21256 170.8
[M+CH3COO]- 280.22821 205.2
[M+Na-2H]- 242.18903 155.7
[M]+ 221.21381 151.5
[M]- 221.21491 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.