CID 20259972

2-(methoxymethyl)-2-methylpropanedioic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
CC(COC)(C(=O)O)C(=O)O
InChI
InChI=1S/C6H10O5/c1-6(3-11-2,4(7)8)5(9)10/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
WQMSNLUVJXFJCA-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-2-methylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

162.05283 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.060106 131.0
[M+Na]+ 185.042048 137.7
[M-H]- 161.045554 128.8
[M+NH4]+ 180.086653 150.1
[M+K]+ 201.015988 138.2
[M+H-H2O]+ 145.050090 127.1
[M+HCOO]- 207.051031 149.8
[M+CH3COO]- 221.066681 172.2
[M+Na-2H]- 183.027496 135.5
[M]+ 162.05228142 132.5
[M]- 162.05337858 132.5
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