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]+ 233.153606 147.2
[M+Na]+ 255.135548 144.7
[M-H]- 231.139054 140.3
[M+NH4]+ 250.180153 169.9
[M+K]+ 271.109488 140.9
[M+H-H2O]+ 215.143590 138.6
[M+HCOO]- 277.144531 143.8
[M+CH3COO]- 291.160181 152.6
[M+Na-2H]- 253.120996 154.8
[M]+ 232.14578142 145.0
[M]- 232.14687858 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.