CID 5364545

Caswell no. 884a

Structural Information

Molecular Formula

C₁₈H₃₃Sn

SMILES

C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3

InChI

InChI=1S/3C6H11.Sn/c3*1-2-4-6-5-3-1;/h3*1H,2-6H2;

InChIKey

RNVJQUPAEIQUTC-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29219
Patents: 369.16043 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]+	370.167706	189.0
[M+Na]+	392.149648	184.1
[M-H]-	368.153154	193.5
[M+NH4]+	387.194253	202.4
[M+K]+	408.123588	180.0
[M+H-H2O]+	352.157690	178.7
[M+HCOO]-	414.158631	197.6
[M+CH3COO]-	428.174281	201.2
[M+Na-2H]-	390.135096	183.9
[M]+	369.15988142	173.2
[M]-	369.16097858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe