CID 83442546

3-(3-amino-2-hydroxypropyl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1=CC(=CC(=C1)C(=O)O)CC(CN)O
InChI
InChI=1S/C10H13NO3/c11-6-9(12)5-7-2-1-3-8(4-7)10(13)14/h1-4,9,12H,5-6,11H2,(H,13,14)
InChIKey
KBZNCVQSWKGQSN-UHFFFAOYSA-N
Compound name
3-(3-amino-2-hydroxypropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.7
[M+Na]+ 218.07876 148.5
[M-H]- 194.08226 143.2
[M+NH4]+ 213.12336 160.0
[M+K]+ 234.05270 146.1
[M+H-H2O]+ 178.08680 136.9
[M+HCOO]- 240.08774 163.2
[M+CH3COO]- 254.10339 181.7
[M+Na-2H]- 216.06421 145.3
[M]+ 195.08899 140.1
[M]- 195.09009 140.1
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.