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: 25
Patents: 276.20892 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.216196	154.2
[M+Na]+	299.198138	154.7
[M-H]-	275.201644	157.1
[M+NH4]+	294.242743	153.6
[M+K]+	315.172078	159.3
[M+H-H2O]+	259.206180	137.5
[M+HCOO]-	321.207121	162.2
[M+CH3COO]-	335.222771	224.5
[M+Na-2H]-	297.183586	154.5
[M]+	276.20837142	174.3
[M]-	276.20946858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe