CID 12651136

78010-42-1

Structural Information

Molecular Formula
C15H20O2
SMILES
C1C2CC3C4C1C5CC(C4)C(C3C5C2)C(=O)O
InChI
InChI=1S/C15H20O2/c16-15(17)13-7-4-9-8-1-6-2-11(9)14(13)12(3-6)10(8)5-7/h6-14H,1-5H2,(H,16,17)
InChIKey
ITYGSFVLZZPKCH-UHFFFAOYSA-N
Compound name
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 149.9
[M+Na]+ 255.13555 158.8
[M+NH4]+ 250.18015 162.6
[M+K]+ 271.10949 151.5
[M-H]- 231.13905 147.8
[M+Na-2H]- 253.12100 142.1
[M]+ 232.14578 150.5
[M]- 232.14688 150.5
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.