CID 15078575

137039-97-5

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 141.0
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.9
[M+NH4]+ 214.10738 158.7
[M+K]+ 235.03672 145.9
[M+H-H2O]+ 179.07082 135.8
[M+HCOO]- 241.07176 160.7
[M+CH3COO]- 255.08741 177.6
[M+Na-2H]- 217.04823 147.3
[M]+ 196.07301 141.5
[M]- 196.07411 141.5
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