CID 20750

4635-87-4

Structural Information

Molecular Formula
C5H7N
SMILES
CC=CCC#N
InChI
InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3
InChIKey
UVKXJAUUKPDDNW-UHFFFAOYSA-N
Compound name
pent-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

4025
Patents

81.057846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 113.2
[M+Na]+ 104.047064 123.1
[M-H]- 80.050570 114.5
[M+NH4]+ 99.091669 135.2
[M+K]+ 120.021004 122.3
[M+H-H2O]+ 64.055106 102.9
[M+HCOO]- 126.056047 134.2
[M+CH3COO]- 140.071697 178.0
[M+Na-2H]- 102.032512 121.0
[M]+ 81.05729742 108.6
[M]- 81.05839458 108.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.