CID 23466401

Methyl 2-hydroxy-3-methoxypropanoate

Structural Information

Molecular Formula
C5H10O4
SMILES
COCC(C(=O)OC)O
InChI
InChI=1S/C5H10O4/c1-8-3-4(6)5(7)9-2/h4,6H,3H2,1-2H3
InChIKey
RDTIMTCYHCPDEM-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

134.0579 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 125.7
[M+Na]+ 157.04712 132.7
[M-H]- 133.05062 124.9
[M+NH4]+ 152.09172 146.8
[M+K]+ 173.02106 134.1
[M+H-H2O]+ 117.05516 121.3
[M+HCOO]- 179.05610 147.5
[M+CH3COO]- 193.07175 169.6
[M+Na-2H]- 155.03257 130.3
[M]+ 134.05735 128.4
[M]- 134.05845 128.4
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