CID 53426662

2-(methoxycarbonyl)cubane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C12C3C4C1C5C4C3C25C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-9(14)11-6-3-2-4(6)10(11,8(12)13)5(2)7(3)11/h2-7H,1H3,(H,12,13)
InChIKey
SLCBZMHPTMINJN-UHFFFAOYSA-N
Compound name
2-methoxycarbonylcubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe