CID 139598085

Ns00007544

Structural Information

Molecular Formula
C17H20O3
SMILES
C1CC2C(C1)C3CC2CC3(C4=CC=C(C=C4)O)C(=O)O
InChI
InChI=1S/C17H20O3/c18-12-6-4-11(5-7-12)17(16(19)20)9-10-8-15(17)14-3-1-2-13(10)14/h4-7,10,13-15,18H,1-3,8-9H2,(H,19,20)
InChIKey
YTBIERUFHYZPHI-UHFFFAOYSA-N
Compound name
8-(4-hydroxyphenyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.148516 166.5
[M+Na]+ 295.130458 173.1
[M-H]- 271.133964 171.2
[M+NH4]+ 290.175063 191.1
[M+K]+ 311.104398 168.1
[M+H-H2O]+ 255.138500 163.1
[M+HCOO]- 317.139441 182.4
[M+CH3COO]- 331.155091 177.6
[M+Na-2H]- 293.115906 165.1
[M]+ 272.14069142 163.8
[M]- 272.14178858 163.8
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.