CID 132314110

2137986-97-9

Structural Information

Molecular Formula
C9H12O3
SMILES
C1CC2(C1)[C@]3(C[C@H]3CO2)C(=O)O
InChI
InChI=1S/C9H12O3/c10-7(11)9-4-6(9)5-12-8(9)2-1-3-8/h6H,1-5H2,(H,10,11)/t6-,9-/m0/s1
InChIKey
CQTJZQLJWFLJDU-RCOVLWMOSA-N
Compound name
(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.5
[M+Na]+ 191.06786 140.6
[M-H]- 167.07136 139.5
[M+NH4]+ 186.11246 146.6
[M+K]+ 207.04180 142.9
[M+H-H2O]+ 151.07590 125.8
[M+HCOO]- 213.07684 149.3
[M+CH3COO]- 227.09249 180.6
[M+Na-2H]- 189.05331 140.0
[M]+ 168.07809 143.0
[M]- 168.07919 143.0
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.