CID 67328565

3-(3-aminophenyl)prop-2-ynoic acid hydrochloride

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC(=CC(=C1)N)C#CC(=O)O
InChI
InChI=1S/C9H7NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,10H2,(H,11,12)
InChIKey
RLQIIEYLVPXJJX-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 135.4
[M+Na]+ 184.03690 146.4
[M+NH4]+ 179.08150 139.4
[M+K]+ 200.01084 138.2
[M-H]- 160.04040 128.7
[M+Na-2H]- 182.02235 138.1
[M]+ 161.04713 134.0
[M]- 161.04823 134.0
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