CID 496878

Nsc701654

Structural Information

Molecular Formula
C9H14O4
SMILES
CC1C(OC1=O)C2COC(O2)(C)C
InChI
InChI=1S/C9H14O4/c1-5-7(12-8(5)10)6-4-11-9(2,3)13-6/h5-7H,4H2,1-3H3
InChIKey
WYDQMXPRLKNDOT-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 127.4
[M+Na]+ 209.078418 134.4
[M-H]- 185.081924 136.5
[M+NH4]+ 204.123023 141.0
[M+K]+ 225.052358 140.3
[M+H-H2O]+ 169.086460 120.1
[M+HCOO]- 231.087401 146.3
[M+CH3COO]- 245.103051 184.6
[M+Na-2H]- 207.063866 134.0
[M]+ 186.08865142 139.3
[M]- 186.08974858 139.3
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.