CID 61029076

3-(2-chlorophenyl)prop-2-yn-1-amine;hydrochloride

Structural Information

Molecular Formula
C9H8ClN
SMILES
C1=CC=C(C(=C1)C#CCN)Cl
InChI
InChI=1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,7,11H2
InChIKey
UTQHLGFEAFPKLC-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.03453 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.041806 136.0
[M+Na]+ 188.023748 147.3
[M-H]- 164.027254 137.9
[M+NH4]+ 183.068353 155.0
[M+K]+ 203.997688 141.1
[M+H-H2O]+ 148.031790 125.6
[M+HCOO]- 210.032731 151.1
[M+CH3COO]- 224.048381 186.0
[M+Na-2H]- 186.009196 141.2
[M]+ 165.03398142 130.4
[M]- 165.03507858 130.4
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.