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 114.1
[M+Na]+ 195.97323 126.2
[M-H]- 171.97673 119.5
[M+NH4]+ 191.01783 132.0
[M+K]+ 211.94717 119.5
[M+H-H2O]+ 155.98127 105.8
[M+HCOO]- 217.98221 133.5
[M+CH3COO]- 231.99786 192.3
[M+Na-2H]- 193.95868 124.0
[M]+ 172.98346 132.4
[M]- 172.98456 132.4
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.