CID 21867455

1-methyl-5-(tributylstannyl)-1h-pyrazole

Structural Information

Molecular Formula
C16H32N2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC=NN1C
InChI
InChI=1S/C4H5N2.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey
MEFBHJAGBFBLEH-UHFFFAOYSA-N
Compound name
tributyl-(2-methylpyrazol-3-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

372.15875 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.166026 192.8
[M+Na]+ 395.147968 197.3
[M-H]- 371.151474 191.7
[M+NH4]+ 390.192573 207.9
[M+K]+ 411.121908 193.3
[M+H-H2O]+ 355.156010 183.7
[M+HCOO]- 417.156951 210.0
[M+CH3COO]- 431.172601 206.5
[M+Na-2H]- 393.133416 192.0
[M]+ 372.15820142 197.3
[M]- 372.15929858 197.3
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