CID 13844016

115044-28-5

Structural Information

Molecular Formula
C12H14O2
SMILES
C1C2C3CC4C2C5C1C3C4C5C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11-9-5-1-3-4-2-6(7(3)9)10(11)8(4)5/h3-11H,1-2H2,(H,13,14)
InChIKey
JXRLEFMPOXWIQW-UHFFFAOYSA-N
Compound name
pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 142.4
[M+Na]+ 213.088598 147.5
[M-H]- 189.092104 143.7
[M+NH4]+ 208.133203 175.8
[M+K]+ 229.062538 146.0
[M+H-H2O]+ 173.096640 143.8
[M+HCOO]- 235.097581 156.1
[M+CH3COO]- 249.113231 154.3
[M+Na-2H]- 211.074046 140.5
[M]+ 190.09883142 149.2
[M]- 190.09992858 149.2
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.