CID 137808

3047-38-9

Structural Information

Molecular Formula
C6H7N
SMILES
C1CC=C(C1)C#N
InChI
InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h3H,1-2,4H2
InChIKey
XBVZRFXCDCYXAX-UHFFFAOYSA-N
Compound name
cyclopentene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

93.057846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 119.5
[M+Na]+ 116.04706 130.5
[M+NH4]+ 111.09167 125.8
[M+K]+ 132.02100 122.7
[M-H]- 92.050570 114.3
[M+Na-2H]- 114.03251 123.5
[M]+ 93.057297 118.7
[M]- 93.058395 118.7
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