CID 177794381

1-(methoxycarbonyl)pentacyclo[3.3.0.0^{2,4}.0^{3,7}.0^{6,8}]octane-3-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C12C3C4C3C5(C1C5C24)C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-9(14)11-4-2-3(4)10(8(12)13)6(5(2)11)7(10)11/h2-7H,1H3,(H,12,13)
InChIKey
PHFVQAYFENXLLD-UHFFFAOYSA-N
Compound name
1-methoxycarbonylpentacyclo[3.3.0.02,4.03,7.06,8]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 166.2
[M+Na]+ 229.04712 171.4
[M-H]- 205.05062 170.5
[M+NH4]+ 224.09172 172.3
[M+K]+ 245.02106 171.6
[M+H-H2O]+ 189.05516 159.1
[M+HCOO]- 251.05610 172.4
[M+CH3COO]- 265.07175 212.1
[M+Na-2H]- 227.03257 168.0
[M]+ 206.05735 190.6
[M]- 206.05845 190.6
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.