CID 4247256

27313-65-1

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)O
InChI
InChI=1S/C13H17NO5/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKey
CDJLVVKXGZXTPW-UHFFFAOYSA-N
Compound name
2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

267.1107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 160.0
[M+Na]+ 290.09992 168.7
[M+NH4]+ 285.14452 164.8
[M+K]+ 306.07386 165.7
[M-H]- 266.10342 159.3
[M+Na-2H]- 288.08537 162.7
[M]+ 267.11015 160.5
[M]- 267.11125 160.5
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

patents stripe