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 129.3
[M+Na]+ 195.97323 129.2
[M+NH4]+ 191.01783 130.4
[M+K]+ 211.94717 126.5
[M-H]- 171.97673 121.9
[M+Na-2H]- 193.95868 129.8
[M]+ 172.98346 124.8
[M]- 172.98456 124.8
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.