CID 130672542

2-hydroxy-3-methoxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C6H12O4
SMILES
CC(C)(C(C(=O)O)O)OC
InChI
InChI=1S/C6H12O4/c1-6(2,10-3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)
InChIKey
CMBQALWOFYHBPZ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

148.07356 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 130.0
[M+Na]+ 171.062778 136.6
[M-H]- 147.066284 127.9
[M+NH4]+ 166.107383 150.0
[M+K]+ 187.036718 137.2
[M+H-H2O]+ 131.070820 126.4
[M+HCOO]- 193.071761 148.4
[M+CH3COO]- 207.087411 171.0
[M+Na-2H]- 169.048226 134.4
[M]+ 148.07301142 130.8
[M]- 148.07410858 130.8
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