CID 22637051

2-[1-(bromomethyl)cyclopropyl]acetonitrile

Structural Information

Molecular Formula
C6H8BrN
SMILES
C1CC1(CC#N)CBr
InChI
InChI=1S/C6H8BrN/c7-5-6(1-2-6)3-4-8/h1-3,5H2
InChIKey
UBRCXYVILSTTRU-UHFFFAOYSA-N
Compound name
2-[1-(bromomethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

172.98401 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.991286 126.4
[M+Na]+ 195.973228 145.5
[M-H]- 171.976734 134.4
[M+NH4]+ 191.017833 147.2
[M+K]+ 211.947168 132.3
[M+H-H2O]+ 155.981270 123.4
[M+HCOO]- 217.982211 148.5
[M+CH3COO]- 231.997861 192.7
[M+Na-2H]- 193.958676 137.2
[M]+ 172.98346142 142.1
[M]- 172.98455858 142.1
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