CID 10468709

6-[3]-ladderane-hexanoic acid

Structural Information

Molecular Formula
C18H28O2
SMILES
C1CC2C(CC1CCCCCC(=O)O)C3C2C4C3CC4
InChI
InChI=1S/C18H28O2/c19-16(20)5-3-1-2-4-11-6-7-14-15(10-11)18-13-9-8-12(13)17(14)18/h11-15,17-18H,1-10H2,(H,19,20)
InChIKey
AYMKDPCMEDAVJJ-UHFFFAOYSA-N
Compound name
6-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

276.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 154.2
[M+Na]+ 299.19814 154.7
[M-H]- 275.20164 157.1
[M+NH4]+ 294.24274 153.6
[M+K]+ 315.17208 159.3
[M+H-H2O]+ 259.20618 137.5
[M+HCOO]- 321.20712 162.2
[M+CH3COO]- 335.22277 224.5
[M+Na-2H]- 297.18359 154.5
[M]+ 276.20837 174.3
[M]- 276.20947 174.3
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

patents stripe