CID 40428253

(s)-3-benzyloxy-2-hydroxypropionic acid methyl ester

Structural Information

Molecular Formula
C11H14O4
SMILES
COC(=O)[C@H](COCC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O4/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m0/s1
InChIKey
ACBWWWIGOQIBMS-JTQLQIEISA-N
Compound name
methyl (2S)-2-hydroxy-3-phenylmethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

210.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.8
[M+Na]+ 233.07842 151.6
[M-H]- 209.08192 147.7
[M+NH4]+ 228.12302 163.6
[M+K]+ 249.05236 150.8
[M+H-H2O]+ 193.08646 139.6
[M+HCOO]- 255.08740 167.3
[M+CH3COO]- 269.10305 183.0
[M+Na-2H]- 231.06387 150.0
[M]+ 210.08865 148.3
[M]- 210.08975 148.3
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