CID 5364360

2-pentenenitrile

Structural Information

Molecular Formula
C5H7N
SMILES
CC/C=C/C#N
InChI
InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+
InChIKey
ISBHMJZRKAFTGE-ONEGZZNKSA-N
Compound name
(E)-pent-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

5168
Patents

81.057846 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 116.4
[M+Na]+ 104.04706 127.5
[M+NH4]+ 99.091669 121.8
[M+K]+ 120.02100 118.3
[M-H]- 80.050570 109.7
[M+Na-2H]- 102.03251 119.3
[M]+ 81.057297 115.1
[M]- 81.058395 115.1
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

patents stripe