CID 12550976

2,2-dimethoxyacetic acid

Structural Information

Molecular Formula
C4H8O4
SMILES
COC(C(=O)O)OC
InChI
InChI=1S/C4H8O4/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H,5,6)
InChIKey
PHELOKYCCWVWFE-UHFFFAOYSA-N
Compound name
2,2-dimethoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

388
Patents

120.04226 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 120.7
[M+Na]+ 143.03148 128.1
[M-H]- 119.03498 120.1
[M+NH4]+ 138.07608 142.4
[M+K]+ 159.00542 129.7
[M+H-H2O]+ 103.03952 116.5
[M+HCOO]- 165.04046 142.9
[M+CH3COO]- 179.05611 167.2
[M+Na-2H]- 141.01693 125.9
[M]+ 120.04171 123.2
[M]- 120.04281 123.2
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