CID 380716

Nsc666423

Structural Information

Molecular Formula
C10H12O3
SMILES
C1CC2C3C1C(C2=O)C(C3)C(=O)O
InChI
InChI=1S/C10H12O3/c11-9-5-2-1-4-6(5)3-7(8(4)9)10(12)13/h4-8H,1-3H2,(H,12,13)
InChIKey
DJXDALFGIUAWMQ-UHFFFAOYSA-N
Compound name
2-oxotricyclo[4.3.0.03,7]nonane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 140.9
[M+Na]+ 203.06786 148.6
[M-H]- 179.07136 144.2
[M+NH4]+ 198.11246 167.8
[M+K]+ 219.04180 146.3
[M+H-H2O]+ 163.07590 138.2
[M+HCOO]- 225.07684 160.0
[M+CH3COO]- 239.09249 180.5
[M+Na-2H]- 201.05331 140.5
[M]+ 180.07809 139.9
[M]- 180.07919 139.9
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.