CID 71473312

130111-95-4

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(C)OC(=O)C1CC(=O)C1
InChI
InChI=1S/C8H12O3/c1-5(2)11-8(10)6-3-7(9)4-6/h5-6H,3-4H2,1-2H3
InChIKey
NMFKKFJNWCNMES-UHFFFAOYSA-N
Compound name
propan-2-yl 3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.0
[M+Na]+ 179.06786 136.5
[M-H]- 155.07136 134.6
[M+NH4]+ 174.11246 145.5
[M+K]+ 195.04180 140.0
[M+H-H2O]+ 139.07590 121.1
[M+HCOO]- 201.07684 151.5
[M+CH3COO]- 215.09249 181.0
[M+Na-2H]- 177.05331 133.7
[M]+ 156.07809 140.6
[M]- 156.07919 140.6
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.