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]+ 173.99129 113.6
[M+Na]+ 195.97323 126.3
[M-H]- 171.97673 119.3
[M+NH4]+ 191.01783 131.7
[M+K]+ 211.94717 119.8
[M+H-H2O]+ 155.98127 105.5
[M+HCOO]- 217.98221 133.0
[M+CH3COO]- 231.99786 193.2
[M+Na-2H]- 193.95868 122.9
[M]+ 172.98346 132.1
[M]- 172.98456 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.