CID 14965922

3-(methoxycarbonyl)cubane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C12C3C4C1C5(C4C3C25)C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-9(14)11-5-2-4-3(5)7(11)10(4,6(2)11)8(12)13/h2-7H,1H3,(H,12,13)
InChIKey
AHKHDYQFYSCVNG-UHFFFAOYSA-N
Compound name
3-methoxycarbonylcubane-1-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 217.4
[M+Na]+ 229.04712 212.1
[M+NH4]+ 224.09172 213.3
[M+K]+ 245.02106 210.2
[M-H]- 205.05062 212.4
[M+Na-2H]- 227.03257 208.9
[M]+ 206.05735 213.3
[M]- 206.05845 213.3
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.