CID 86812275

1803561-83-2

Structural Information

Molecular Formula
C12H14O2
SMILES
C1C2C3CC4C2C5C1C3C(C45)C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-11H,1-2H2,(H,13,14)
InChIKey
UXKUWKVUGVNIHW-UHFFFAOYSA-N
Compound name
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-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 147.6
[M+Na]+ 213.08860 153.0
[M-H]- 189.09210 150.6
[M+NH4]+ 208.13320 171.8
[M+K]+ 229.06254 152.6
[M+H-H2O]+ 173.09664 143.2
[M+HCOO]- 235.09758 161.8
[M+CH3COO]- 249.11323 159.4
[M+Na-2H]- 211.07405 146.6
[M]+ 190.09883 158.8
[M]- 190.09993 158.8
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.