CID 167716930

2-(1-bromocyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1CC(C1)(CC#N)Br
InChI
InChI=1S/C6H8BrN/c7-6(4-5-8)2-1-3-6/h1-4H2
InChIKey
ZZJCSPMEESPSCM-UHFFFAOYSA-N
Compound name
2-(1-bromocyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.98401 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99129 130.5
[M+Na]+ 195.97323 130.1
[M+NH4]+ 191.01783 131.6
[M+K]+ 211.94717 127.2
[M-H]- 171.97673 123.1
[M+Na-2H]- 193.95868 131.0
[M]+ 172.98346 125.9
[M]- 172.98456 125.9
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.