CID 46853700

Gmg-43ac

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(=O)NC1=CC=C(C=C1)C[C@H](C(=O)O)OC
InChI
InChI=1S/C12H15NO4/c1-8(14)13-10-5-3-9(4-6-10)7-11(17-2)12(15)16/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKey
DQUOOKMLOSPCLZ-LLVKDONJSA-N
Compound name
(2R)-3-(4-acetamidophenyl)-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

121
Patents

237.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.1
[M+Na]+ 260.08933 162.2
[M+NH4]+ 255.13393 158.7
[M+K]+ 276.06327 158.7
[M-H]- 236.09283 153.0
[M+Na-2H]- 258.07478 156.8
[M]+ 237.09956 153.9
[M]- 237.10066 153.9
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