CID 135001707

3-(cyclopent-1-en-1-yl)prop-2-enenitrile

Structural Information

Molecular Formula
C8H9N
SMILES
C1CC=C(C1)/C=C/C#N
InChI
InChI=1S/C8H9N/c9-7-3-6-8-4-1-2-5-8/h3-4,6H,1-2,5H2/b6-3+
InChIKey
BTEIKWCOPZXDRM-ZZXKWVIFSA-N
Compound name
(E)-3-(cyclopenten-1-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 126.2
[M+Na]+ 142.06272 135.8
[M-H]- 118.06622 129.4
[M+NH4]+ 137.10732 148.0
[M+K]+ 158.03666 132.4
[M+H-H2O]+ 102.07076 114.4
[M+HCOO]- 164.07170 147.0
[M+CH3COO]- 178.08735 182.2
[M+Na-2H]- 140.04817 131.5
[M]+ 119.07295 119.6
[M]- 119.07405 119.6
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.