CID 16683138

Nsc628574

Structural Information

Molecular Formula
C14H28N2O4Sn
SMILES
CCCC[Sn]1(N(CCNCC(=O)O1)CC(=O)O)CCCC
InChI
InChI=1S/C6H11N2O4.2C4H9.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;2*1-3-4-2;/h7H,1-4H2,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
ZRDSDBZZIKPRHI-UHFFFAOYSA-M
Compound name
2-(2,2-dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.10712 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11440 178.5
[M+Na]+ 431.09634 181.6
[M-H]- 407.09984 177.3
[M+NH4]+ 426.14094 183.4
[M+K]+ 447.07028 181.5
[M+H-H2O]+ 391.10438 173.7
[M+HCOO]- 453.10532 183.0
[M+CH3COO]- 467.12097 231.1
[M+Na-2H]- 429.08179 175.4
[M]+ 408.10657 178.0
[M]- 408.10767 178.0
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.