CID 170916868

3-(bromomethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1C(CC1C#N)CBr
InChI
InChI=1S/C6H8BrN/c7-3-5-1-6(2-5)4-8/h5-6H,1-3H2
InChIKey
VNCAICDOHSZPQO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.98401 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.991286 113.1
[M+Na]+ 195.973228 124.8
[M-H]- 171.976734 118.2
[M+NH4]+ 191.017833 129.4
[M+K]+ 211.947168 118.8
[M+H-H2O]+ 155.981270 103.6
[M+HCOO]- 217.982211 132.3
[M+CH3COO]- 231.997861 193.6
[M+Na-2H]- 193.958676 121.4
[M]+ 172.98346142 131.1
[M]- 172.98455858 131.1
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.