CID 2763150

3-(4-acetylphenyl)-2-aminopropanoic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=O)C1=CC=C(C=C1)CC(C(=O)O)N
InChI
InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)
InChIKey
ZXSBHXZKWRIEIA-UHFFFAOYSA-N
Compound name
3-(4-acetylphenyl)-2-aminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2768
Patents

207.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.7
[M+Na]+ 230.07876 151.5
[M-H]- 206.08226 147.5
[M+NH4]+ 225.12336 163.0
[M+K]+ 246.05270 149.7
[M+H-H2O]+ 190.08680 139.6
[M+HCOO]- 252.08774 166.5
[M+CH3COO]- 266.10339 187.3
[M+Na-2H]- 228.06421 147.0
[M]+ 207.08899 144.0
[M]- 207.09009 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe