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]+ 173.991286 127.6
[M+Na]+ 195.973228 141.4
[M-H]- 171.976734 132.6
[M+NH4]+ 191.017833 152.2
[M+K]+ 211.947168 129.8
[M+H-H2O]+ 155.981270 122.4
[M+HCOO]- 217.982211 147.7
[M+CH3COO]- 231.997861 187.8
[M+Na-2H]- 193.958676 135.2
[M]+ 172.98346142 137.3
[M]- 172.98455858 137.3
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.