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

198
Patents

136.98401 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.991286 119.8
[M+Na]+ 159.973228 130.8
[M-H]- 135.976734 123.1
[M+NH4]+ 155.017833 144.7
[M+K]+ 175.947168 121.2
[M+H-H2O]+ 119.981270 120.5
[M+HCOO]- 181.982211 142.8
[M+CH3COO]- 195.997861 174.2
[M+Na-2H]- 157.958676 129.6
[M]+ 136.98346142 137.4
[M]- 136.98455858 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