CID 58104777

3-hydroxy-2-methoxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C5H10O4
SMILES
CC(CO)(C(=O)O)OC
InChI
InChI=1S/C5H10O4/c1-5(3-6,9-2)4(7)8/h6H,3H2,1-2H3,(H,7,8)
InChIKey
MRATYJKCJCIUCZ-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methoxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

134.0579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.065176 125.7
[M+Na]+ 157.047118 132.9
[M-H]- 133.050624 123.6
[M+NH4]+ 152.091723 146.2
[M+K]+ 173.021058 133.2
[M+H-H2O]+ 117.055160 122.1
[M+HCOO]- 179.056101 145.4
[M+CH3COO]- 193.071751 167.1
[M+Na-2H]- 155.032566 131.8
[M]+ 134.05735142 126.8
[M]- 134.05844858 126.8
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