CID 82339

10076-48-9

Structural Information

Molecular Formula
C6H12O4
SMILES
CC(C(=O)OC)(OC)OC
InChI
InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
InChIKey
KHQQDBIXHUJARJ-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

148.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 128.6
[M+Na]+ 171.062778 136.4
[M-H]- 147.066284 129.4
[M+NH4]+ 166.107383 150.2
[M+K]+ 187.036718 138.4
[M+H-H2O]+ 131.070820 124.6
[M+HCOO]- 193.071761 151.2
[M+CH3COO]- 207.087411 174.7
[M+Na-2H]- 169.048226 135.5
[M]+ 148.07301142 134.0
[M]- 148.07410858 134.0
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