CID 541728

(2-bromoprop-2-en-1-yl)(methyl)amine hydrochloride

Structural Information

Molecular Formula
C4H8BrN
SMILES
CNCC(=C)Br
InChI
InChI=1S/C4H8BrN/c1-4(5)3-6-2/h6H,1,3H2,2H3
InChIKey
LQXDRLIBEBGREQ-UHFFFAOYSA-N
Compound name
2-bromo-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.98401 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.99129 123.7
[M+Na]+ 171.97323 134.4
[M-H]- 147.97673 127.0
[M+NH4]+ 167.01783 148.0
[M+K]+ 187.94717 124.3
[M+H-H2O]+ 131.98127 124.2
[M+HCOO]- 193.98221 145.7
[M+CH3COO]- 207.99786 176.8
[M+Na-2H]- 169.95868 131.8
[M]+ 148.98346 140.4
[M]- 148.98456 140.4
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

No patent data available for this compound.