CID 78148

Cyclobutanecarbonitrile

Structural Information

Molecular Formula
C5H7N
SMILES
C1CC(C1)C#N
InChI
InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
InChIKey
GFBLFDSCAKHHGX-UHFFFAOYSA-N
Compound name
cyclobutanecarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2720
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 106.9
[M+Na]+ 104.04706 115.0
[M-H]- 80.050570 110.8
[M+NH4]+ 99.091669 122.9
[M+K]+ 120.02100 118.2
[M+H-H2O]+ 64.055106 92.1
[M+HCOO]- 126.05605 126.4
[M+CH3COO]- 140.07170 180.9
[M+Na-2H]- 102.03251 114.9
[M]+ 81.057297 108.5
[M]- 81.058395 108.5
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