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 215.8
[M+Na]+ 229.04712 215.4
[M-H]- 205.05062 219.2
[M+NH4]+ 224.09172 211.1
[M+K]+ 245.02106 219.8
[M+H-H2O]+ 189.05516 203.9
[M+HCOO]- 251.05610 216.5
[M+CH3COO]- 265.07175 261.0
[M+Na-2H]- 227.03257 209.1
[M]+ 206.05735 235.5
[M]- 206.05845 235.5
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.