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
1
Annotation Hits

0
References

196
Patents

148.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 128.6
[M+Na]+ 171.06278 136.4
[M-H]- 147.06628 129.4
[M+NH4]+ 166.10738 150.2
[M+K]+ 187.03672 138.4
[M+H-H2O]+ 131.07082 124.6
[M+HCOO]- 193.07176 151.2
[M+CH3COO]- 207.08741 174.7
[M+Na-2H]- 169.04823 135.5
[M]+ 148.07301 134.0
[M]- 148.07411 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