CID 42607293

10-[3]-ladderane-decanoic acid

Structural Information

Molecular Formula
C22H36O2
SMILES
C1CC2C(CC1CCCCCCCCCC(=O)O)C3C2C4C3CC4
InChI
InChI=1S/C22H36O2/c23-20(24)9-7-5-3-1-2-4-6-8-15-10-11-18-19(14-15)22-17-13-12-16(17)21(18)22/h15-19,21-22H,1-14H2,(H,23,24)
InChIKey
LNZVFVDXQMOFRR-UHFFFAOYSA-N
Compound name
10-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)decanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.27155 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 170.4
[M+Na]+ 355.26077 169.4
[M-H]- 331.26427 172.5
[M+NH4]+ 350.30537 167.9
[M+K]+ 371.23471 173.3
[M+H-H2O]+ 315.26881 153.0
[M+HCOO]- 377.26975 177.1
[M+CH3COO]- 391.28540 233.2
[M+Na-2H]- 353.24622 168.7
[M]+ 332.27100 191.3
[M]- 332.27210 191.3
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.