CID 16683171

Nsc633505

Structural Information

Molecular Formula
C16H24O3Sn
SMILES
CCCC[Sn]1(OC2=C(C=C(C=C2)C)C(=O)O1)CCCC
InChI
InChI=1S/C8H8O3.2C4H9.Sn/c1-5-2-3-7(9)6(4-5)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
VETAQHGIJKJLOZ-UHFFFAOYSA-L
Compound name
2,2-dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.07474 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08202 185.8
[M+Na]+ 407.06396 192.4
[M-H]- 383.06746 190.3
[M+NH4]+ 402.10856 201.7
[M+K]+ 423.03790 191.0
[M+H-H2O]+ 367.07200 178.3
[M+HCOO]- 429.07294 202.4
[M+CH3COO]- 443.08859 206.1
[M+Na-2H]- 405.04941 189.6
[M]+ 384.07419 190.7
[M]- 384.07529 190.7
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.