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]+ 191.10666 142.4
[M+Na]+ 213.08860 147.5
[M-H]- 189.09210 143.7
[M+NH4]+ 208.13320 175.8
[M+K]+ 229.06254 146.0
[M+H-H2O]+ 173.09664 143.8
[M+HCOO]- 235.09758 156.1
[M+CH3COO]- 249.11323 154.3
[M+Na-2H]- 211.07405 140.5
[M]+ 190.09883 149.2
[M]- 190.09993 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.