CID 17752268

1-(4-bromophenyl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C9H8BrN
SMILES
C#CC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H8BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9H,11H2
InChIKey
ZSWRRJTWKKLTOP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.98401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 138.5
[M+Na]+ 231.973228 151.5
[M-H]- 207.976734 141.6
[M+NH4]+ 227.017833 157.9
[M+K]+ 247.947168 138.9
[M+H-H2O]+ 191.981270 132.3
[M+HCOO]- 253.982211 156.6
[M+CH3COO]- 267.997861 193.7
[M+Na-2H]- 229.958676 143.8
[M]+ 208.98346142 147.6
[M]- 208.98455858 147.6
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