CID 42607296

12-[5]-ladderane-dodecanoic acid

Structural Information

Molecular Formula
C24H38O2
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H38O2/c25-19(26)11-9-7-5-3-1-2-4-6-8-10-15-14-18-20(15)24-22-17-13-12-16(17)21(22)23(18)24/h15-18,20-24H,1-14H2,(H,25,26)
InChIKey
ZPDCFDULRXOVLT-UHFFFAOYSA-N
Compound name
12-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)dodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.28717 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.29445 183.6
[M+Na]+ 381.27639 182.4
[M-H]- 357.27989 186.4
[M+NH4]+ 376.32099 175.7
[M+K]+ 397.25033 187.2
[M+H-H2O]+ 341.28443 167.5
[M+HCOO]- 403.28537 186.4
[M+CH3COO]- 417.30102 260.1
[M+Na-2H]- 379.26184 179.0
[M]+ 358.28662 206.3
[M]- 358.28772 206.3
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.