CID 170910165

6-oxobicyclo[3.2.0]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC2C(=O)CC2(C1)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-4-8(7(10)11)3-1-2-5(6)8/h5H,1-4H2,(H,10,11)
InChIKey
FAZNHGDIFCDQMY-UHFFFAOYSA-N
Compound name
6-oxobicyclo[3.2.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 129.4
[M+Na]+ 177.052208 135.7
[M-H]- 153.055714 132.8
[M+NH4]+ 172.096813 147.8
[M+K]+ 193.026148 137.1
[M+H-H2O]+ 137.060250 121.7
[M+HCOO]- 199.061191 148.6
[M+CH3COO]- 213.076841 175.7
[M+Na-2H]- 175.037656 134.0
[M]+ 154.06244142 136.4
[M]- 154.06353858 136.4
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.