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]+ 173.991286 114.1
[M+Na]+ 195.973228 126.2
[M-H]- 171.976734 119.5
[M+NH4]+ 191.017833 132.0
[M+K]+ 211.947168 119.5
[M+H-H2O]+ 155.981270 105.8
[M+HCOO]- 217.982211 133.5
[M+CH3COO]- 231.997861 192.3
[M+Na-2H]- 193.958676 124.0
[M]+ 172.98346142 132.4
[M]- 172.98455858 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.