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

3360
Patents

207.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 145.7
[M+Na]+ 230.078758 151.5
[M-H]- 206.082264 147.5
[M+NH4]+ 225.123363 163.0
[M+K]+ 246.052698 149.7
[M+H-H2O]+ 190.086800 139.6
[M+HCOO]- 252.087741 166.5
[M+CH3COO]- 266.103391 187.3
[M+Na-2H]- 228.064206 147.0
[M]+ 207.08899142 144.0
[M]- 207.09008858 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