CID 138040647

31467-53-5

Structural Information

Molecular Formula
C8H10O3
SMILES
C1[C@@H]2C[C@H]([C@H]1CC2=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-7-3-4-1-5(7)2-6(4)8(10)11/h4-6H,1-3H2,(H,10,11)/t4-,5-,6-/m1/s1
InChIKey
DMXXHQSAOSFXQF-HSUXUTPPSA-N
Compound name
(1R,2R,4R)-5-oxobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 131.5
[M+Na]+ 177.05221 139.1
[M+NH4]+ 172.09681 139.6
[M+K]+ 193.02615 138.7
[M-H]- 153.05571 130.1
[M+Na-2H]- 175.03766 131.3
[M]+ 154.06244 131.6
[M]- 154.06354 131.6
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.