CID 16682844

Nsc678510

Structural Information

Molecular Formula
C12H17NO3Sn
SMILES
C1CO[Sn]2(OCCN1CCO2)C3=CC=CC=C3
InChI
InChI=1S/C6H12NO3.C6H5.Sn/c8-4-1-7(2-5-9)3-6-10;1-2-4-6-5-3-1;/h1-6H2;1-5H;/q-3;;+3
InChIKey
RONZSGHUKRYQRF-UHFFFAOYSA-N
Compound name
1-phenyl-2,8,9-trioxa-5-aza-1-stannabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.02304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03032 114.6
[M+Na]+ 366.01226 114.7
[M-H]- 342.01576 114.7
[M+NH4]+ 361.05686 114.7
[M+K]+ 381.98620 114.7
[M+H-H2O]+ 326.02030 114.6
[M+HCOO]- 388.02124 114.6
[M+CH3COO]- 402.03689 114.6
[M+Na-2H]- 363.99771 114.5
[M]+ 343.02249 114.6
[M]- 343.02359 114.6
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.