CID 12735739

40052-63-9

Structural Information

Molecular Formula
C3H8BrN
SMILES
CNCCBr
InChI
InChI=1S/C3H8BrN/c1-5-3-2-4/h5H,2-3H2,1H3
InChIKey
CRZZYXUUPZTFGR-UHFFFAOYSA-N
Compound name
2-bromo-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

136.98401 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.99129 119.8
[M+Na]+ 159.97323 130.8
[M-H]- 135.97673 123.1
[M+NH4]+ 155.01783 144.7
[M+K]+ 175.94717 121.2
[M+H-H2O]+ 119.98127 120.5
[M+HCOO]- 181.98221 142.8
[M+CH3COO]- 195.99786 174.2
[M+Na-2H]- 157.95868 129.6
[M]+ 136.98346 137.4
[M]- 136.98456 137.4
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