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

212
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 117.7
[M+Na]+ 116.047064 127.7
[M-H]- 92.050570 121.1
[M+NH4]+ 111.091669 140.4
[M+K]+ 132.021004 125.4
[M+H-H2O]+ 76.055106 106.2
[M+HCOO]- 138.056047 138.9
[M+CH3COO]- 152.071697 178.2
[M+Na-2H]- 114.032512 124.1
[M]+ 93.05729742 111.1
[M]- 93.05839458 111.1
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