CID 72734246

1577233-73-8

Structural Information

Molecular Formula
C21H46N2O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)CN(CCCN)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H19N2O2.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-5-6-10;3*1-3-4-2;/h4-7,10H2,1-3H3;3*1,3-4H2,2H3;
InChIKey
IXXRAKGOXZKYBH-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

478.25812 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.26540 224.9
[M+Na]+ 501.24734 224.2
[M-H]- 477.25084 223.0
[M+NH4]+ 496.29194 236.5
[M+K]+ 517.22128 222.2
[M+H-H2O]+ 461.25538 216.7
[M+HCOO]- 523.25632 242.0
[M+CH3COO]- 537.27197 234.4
[M+Na-2H]- 499.23279 220.8
[M]+ 478.25757 231.2
[M]- 478.25867 231.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe