CID 16683140

Nsc628576

Structural Information

Molecular Formula
C8H16N2O4Sn
SMILES
C[Sn]1(N(CC(=O)O1)CCNCC(=O)O)C
InChI
InChI=1S/C6H11N2O4.2CH3.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;;;/h7H,1-4H2,(H,9,10)(H,11,12);2*1H3;/q-1;;;+2/p-1
InChIKey
KEZOGKQAIHEDSP-UHFFFAOYSA-M
Compound name
2-[2-(2,2-dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02048 166.1
[M+Na]+ 347.00242 172.0
[M-H]- 323.00592 166.7
[M+NH4]+ 342.04702 183.7
[M+K]+ 362.97636 171.5
[M+H-H2O]+ 307.01046 159.9
[M+HCOO]- 369.01140 184.8
[M+CH3COO]- 383.02705 190.6
[M+Na-2H]- 344.98787 167.8
[M]+ 324.01265 167.2
[M]- 324.01375 167.2
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.