CID 75229873

123005-01-6

Structural Information

Molecular Formula
C11H12O3
SMILES
COC(=O)C12C3C1C4CC3CC4C2=O
InChI
InChI=1S/C11H12O3/c1-14-10(13)11-7-4-2-5(8(7)11)6(3-4)9(11)12/h4-8H,2-3H2,1H3
InChIKey
XZTCMUYZCHLPKN-UHFFFAOYSA-N
Compound name
methyl 5-oxotetracyclo[4.3.0.02,4.03,8]nonane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 143.3
[M+Na]+ 215.06786 154.7
[M-H]- 191.07136 147.8
[M+NH4]+ 210.11246 168.6
[M+K]+ 231.04180 150.1
[M+H-H2O]+ 175.07590 141.5
[M+HCOO]- 237.07684 160.7
[M+CH3COO]- 251.09249 157.0
[M+Na-2H]- 213.05331 146.6
[M]+ 192.07809 150.6
[M]- 192.07919 150.6
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.