CID 82615564

2-amino-3-(7-methyl-1-benzofuran-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=C2C(=CC=C1)C(=CO2)CC(C(=O)O)N
InChI
InChI=1S/C12H13NO3/c1-7-3-2-4-9-8(6-16-11(7)9)5-10(13)12(14)15/h2-4,6,10H,5,13H2,1H3,(H,14,15)
InChIKey
SQWYJFQYOCIPIG-UHFFFAOYSA-N
Compound name
2-amino-3-(7-methyl-1-benzofuran-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 147.4
[M+Na]+ 242.078758 156.0
[M-H]- 218.082264 151.6
[M+NH4]+ 237.123363 166.4
[M+K]+ 258.052698 154.2
[M+H-H2O]+ 202.086800 141.9
[M+HCOO]- 264.087741 169.8
[M+CH3COO]- 278.103391 188.7
[M+Na-2H]- 240.064206 151.6
[M]+ 219.08899142 149.5
[M]- 219.09008858 149.5
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.