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]+ 187.09648 127.4
[M+Na]+ 209.07842 134.4
[M-H]- 185.08192 136.5
[M+NH4]+ 204.12302 141.0
[M+K]+ 225.05236 140.3
[M+H-H2O]+ 169.08646 120.1
[M+HCOO]- 231.08740 146.3
[M+CH3COO]- 245.10305 184.6
[M+Na-2H]- 207.06387 134.0
[M]+ 186.08865 139.3
[M]- 186.08975 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.