CID 10333573

6-[5]-ladderane-hexanoic acid

Structural Information

Molecular Formula
C18H26O2
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCC(=O)O
InChI
InChI=1S/C18H26O2/c19-13(20)5-3-1-2-4-9-8-12-14(9)18-16-11-7-6-10(11)15(16)17(12)18/h9-12,14-18H,1-8H2,(H,19,20)
InChIKey
FWADMOZVPHIBNO-UHFFFAOYSA-N
Compound name
6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

274.19327 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 166.6
[M+Na]+ 297.18249 166.8
[M-H]- 273.18599 170.2
[M+NH4]+ 292.22709 160.5
[M+K]+ 313.15643 172.3
[M+H-H2O]+ 257.19053 151.3
[M+HCOO]- 319.19147 170.6
[M+CH3COO]- 333.20712 252.6
[M+Na-2H]- 295.16794 164.1
[M]+ 274.19272 188.8
[M]- 274.19382 188.8
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

patents stripe