CID 16683129

Nsc628564

Structural Information

Molecular Formula
C16H24O4Sn
SMILES
CCCC[Sn]1(OC2=C(C=CC=C2OC)C(=O)O1)CCCC
InChI
InChI=1S/C8H8O4.2C4H9.Sn/c1-12-6-4-2-3-5(7(6)9)8(10)11;2*1-3-4-2;/h2-4,9H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
XCMZNKMJIGQMJI-UHFFFAOYSA-L
Compound name
2,2-dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.06967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.07695 188.8
[M+Na]+ 423.05889 195.3
[M-H]- 399.06239 193.3
[M+NH4]+ 418.10349 204.0
[M+K]+ 439.03283 194.5
[M+H-H2O]+ 383.06693 181.1
[M+HCOO]- 445.06787 205.5
[M+CH3COO]- 459.08352 208.2
[M+Na-2H]- 421.04434 192.8
[M]+ 400.06912 195.2
[M]- 400.07022 195.2
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.