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]+ 193.085916 143.3
[M+Na]+ 215.067858 154.7
[M-H]- 191.071364 147.8
[M+NH4]+ 210.112463 168.6
[M+K]+ 231.041798 150.1
[M+H-H2O]+ 175.075900 141.5
[M+HCOO]- 237.076841 160.7
[M+CH3COO]- 251.092491 157.0
[M+Na-2H]- 213.053306 146.6
[M]+ 192.07809142 150.6
[M]- 192.07918858 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.