CID 3016407

43064-52-4

Structural Information

Molecular Formula
C9H16O5
SMILES
CC(C)C(CC(=O)OC)(C(=O)OC)O
InChI
InChI=1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3
InChIKey
OQIDMHZJNDYZLB-UHFFFAOYSA-N
Compound name
dimethyl 2-hydroxy-2-propan-2-ylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09978 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.107056 143.9
[M+Na]+ 227.088998 149.9
[M-H]- 203.092504 142.9
[M+NH4]+ 222.133603 162.3
[M+K]+ 243.062938 151.1
[M+H-H2O]+ 187.097040 139.6
[M+HCOO]- 249.097981 162.4
[M+CH3COO]- 263.113631 183.4
[M+Na-2H]- 225.074446 146.4
[M]+ 204.09923142 147.8
[M]- 204.10032858 147.8
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

No patent data available for this compound.