CID 22637046

3-bromocyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1CC(CC1C#N)Br
InChI
InChI=1S/C6H8BrN/c7-6-2-1-5(3-6)4-8/h5-6H,1-3H2
InChIKey
CLTCFOSERODSMX-UHFFFAOYSA-N
Compound name
3-bromocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

172.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.991286 128.0
[M+Na]+ 195.973228 141.4
[M-H]- 171.976734 132.7
[M+NH4]+ 191.017833 151.0
[M+K]+ 211.947168 130.4
[M+H-H2O]+ 155.981270 122.0
[M+HCOO]- 217.982211 147.9
[M+CH3COO]- 231.997861 189.0
[M+Na-2H]- 193.958676 134.0
[M]+ 172.98346142 137.5
[M]- 172.98455858 137.5
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

patents stripe