CID 14112825

1-bromocyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1CCC(C1)(C#N)Br
InChI
InChI=1S/C6H8BrN/c7-6(5-8)3-1-2-4-6/h1-4H2
InChIKey
ZQUQEJATTVGAKB-UHFFFAOYSA-N
Compound name
1-bromocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.98401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99129 134.7
[M+Na]+ 195.97323 136.6
[M+NH4]+ 191.01783 138.7
[M+K]+ 211.94717 133.3
[M-H]- 171.97673 128.9
[M+Na-2H]- 193.95868 136.2
[M]+ 172.98346 131.6
[M]- 172.98456 131.6
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.