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]+ 166.04181 136.0
[M+Na]+ 188.02375 147.3
[M-H]- 164.02725 137.9
[M+NH4]+ 183.06835 155.0
[M+K]+ 203.99769 141.1
[M+H-H2O]+ 148.03179 125.6
[M+HCOO]- 210.03273 151.1
[M+CH3COO]- 224.04838 186.0
[M+Na-2H]- 186.00920 141.2
[M]+ 165.03398 130.4
[M]- 165.03508 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.