CID 13430

N-(o-bromobenzyl)-n-methyl-2-propynylamine hydrochloride

Structural Information

Molecular Formula
C11H12BrN
SMILES
CN(CC#C)CC1=CC=CC=C1Br
InChI
InChI=1S/C11H12BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h1,4-7H,8-9H2,2H3
InChIKey
RAQPZRZYBLVXPM-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.0153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 143.5
[M+Na]+ 260.00452 156.2
[M-H]- 236.00802 148.0
[M+NH4]+ 255.04912 162.9
[M+K]+ 275.97846 144.2
[M+H-H2O]+ 220.01256 136.8
[M+HCOO]- 282.01350 162.9
[M+CH3COO]- 296.02915 201.6
[M+Na-2H]- 257.98997 149.5
[M]+ 237.01475 155.7
[M]- 237.01585 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.