CID 22637051

338392-48-6

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

80
Patents

172.98401 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99129 126.4
[M+Na]+ 195.97323 145.5
[M-H]- 171.97673 134.4
[M+NH4]+ 191.01783 147.2
[M+K]+ 211.94717 132.3
[M+H-H2O]+ 155.98127 123.4
[M+HCOO]- 217.98221 148.5
[M+CH3COO]- 231.99786 192.7
[M+Na-2H]- 193.95868 137.2
[M]+ 172.98346 142.1
[M]- 172.98456 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