CID 15078575

Methoxyphenyl lactic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COCC(C1=CC=CC=C1)(C(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-7-10(13,9(11)12)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)
InChIKey
CKTVFIBVWJNPGU-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.3
[M+Na]+ 219.06278 151.4
[M+NH4]+ 214.10738 147.7
[M+K]+ 235.03672 147.9
[M-H]- 195.06628 140.5
[M+Na-2H]- 217.04823 146.2
[M]+ 196.07301 142.2
[M]- 196.07411 142.2
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