CID 42607294

10-[5]-ladderane-decanoic acid

Structural Information

Molecular Formula
C22H34O2
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCCCCC(=O)O
InChI
InChI=1S/C22H34O2/c23-17(24)9-7-5-3-1-2-4-6-8-13-12-16-18(13)22-20-15-11-10-14(15)19(20)21(16)22/h13-16,18-22H,1-12H2,(H,23,24)
InChIKey
LXZYGXNGSMYQAG-UHFFFAOYSA-N
Compound name
10-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)decanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26318 178.0
[M+Na]+ 353.24512 177.2
[M-H]- 329.24862 181.1
[M+NH4]+ 348.28972 170.6
[M+K]+ 369.21906 182.3
[M+H-H2O]+ 313.25316 162.1
[M+HCOO]- 375.25410 181.2
[M+CH3COO]- 389.26975 257.6
[M+Na-2H]- 351.23057 174.1
[M]+ 330.25535 200.5
[M]- 330.25645 200.5
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.