CID 137943538

1-(methoxymethyl)-5-(tributylstannyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C16H33N3OSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC=NN1COC
InChI
InChI=1S/C4H6N3O.3C4H9.Sn/c1-8-4-7-3-5-2-6-7;3*1-3-4-2;/h2H,4H2,1H3;3*1,3-4H2,2H3;
InChIKey
PXAFKOBFXBRQHY-UHFFFAOYSA-N
Compound name
tributyl-[2-(methoxymethyl)-1,2,4-triazol-3-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16455 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17183 200.1
[M+Na]+ 426.15377 204.4
[M-H]- 402.15727 197.6
[M+NH4]+ 421.19837 212.5
[M+K]+ 442.12771 200.8
[M+H-H2O]+ 386.16181 189.9
[M+HCOO]- 448.16275 216.1
[M+CH3COO]- 462.17840 211.0
[M+Na-2H]- 424.13922 199.3
[M]+ 403.16400 206.5
[M]- 403.16510 206.5
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

No patent data available for this compound.