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 147.2
[M+Na]+ 255.13555 144.7
[M-H]- 231.13905 140.3
[M+NH4]+ 250.18015 169.9
[M+K]+ 271.10949 140.9
[M+H-H2O]+ 215.14359 138.6
[M+HCOO]- 277.14453 143.8
[M+CH3COO]- 291.16018 152.6
[M+Na-2H]- 253.12100 154.8
[M]+ 232.14578 145.0
[M]- 232.14688 145.0
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.