CID 131262755

2090250-86-3

Structural Information

Molecular Formula
C9H12O3
SMILES
COC(=O)C1CC2(C1)CCC2=O
InChI
InChI=1S/C9H12O3/c1-12-8(11)6-4-9(5-6)3-2-7(9)10/h6H,2-5H2,1H3
InChIKey
QHPZKECBUYGCMW-UHFFFAOYSA-N
Compound name
methyl 7-oxospiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 126.4
[M+Na]+ 191.06786 131.2
[M-H]- 167.07136 132.1
[M+NH4]+ 186.11246 135.7
[M+K]+ 207.04180 136.3
[M+H-H2O]+ 151.07590 114.0
[M+HCOO]- 213.07684 144.7
[M+CH3COO]- 227.09249 190.7
[M+Na-2H]- 189.05331 131.3
[M]+ 168.07809 142.9
[M]- 168.07919 142.9
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.