CID 31511

Monocyclohexyltin acid

Structural Information

Molecular Formula

C₆H₁₂O₂Sn

SMILES

C1CCC(CC1)[Sn](=O)O

InChI

InChI=1S/C6H11.H2O.O.Sn/c1-2-4-6-5-3-1;;;/h1H,2-6H2;1H2;;/q;;;+1/p-1

InChIKey

LBRGAPKPFGAPFU-UHFFFAOYSA-M

Compound name

cyclohexyl-hydroxy-oxotin

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 235.98593 Da
Monoisotopic Mass: None
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]+	236.99321	147.2
[M+Na]+	258.97515	151.1
[M-H]-	234.97865	147.9
[M+NH4]+	254.01975	167.0
[M+K]+	274.94909	149.8
[M+H-H2O]+	218.98319	141.1
[M+HCOO]-	280.98413	165.0
[M+CH3COO]-	294.99978	171.8
[M+Na-2H]-	256.96060	149.6
[M]+	235.98538	141.8
[M]-	235.98648	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe