CID 138040136

3-bromo-1-methylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
CC1(CC(C1)Br)C#N
InChI
InChI=1S/C6H8BrN/c1-6(4-8)2-5(7)3-6/h5H,2-3H2,1H3
InChIKey
JIXVHVZKUGMHNM-UHFFFAOYSA-N
Compound name
3-bromo-1-methylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.991286 113.6
[M+Na]+ 195.973228 126.3
[M-H]- 171.976734 119.3
[M+NH4]+ 191.017833 131.7
[M+K]+ 211.947168 119.8
[M+H-H2O]+ 155.981270 105.5
[M+HCOO]- 217.982211 133.0
[M+CH3COO]- 231.997861 193.2
[M+Na-2H]- 193.958676 122.9
[M]+ 172.98346142 132.1
[M]- 172.98455858 132.1
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.