CID 16683174

Nsc633509

Structural Information

Molecular Formula
C17H28O2Sn
SMILES
CCCC[Sn]1(OCC(O1)CC2=CC=CC=C2)CCCC
InChI
InChI=1S/C9H10O2.2C4H9.Sn/c10-7-9(11)6-8-4-2-1-3-5-8;2*1-3-4-2;/h1-5,9H,6-7H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKey
ABHXUASUHISUOV-UHFFFAOYSA-N
Compound name
4-benzyl-2,2-dibutyl-1,3,2-dioxastannolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11843 189.5
[M+Na]+ 407.10037 193.4
[M-H]- 383.10387 195.4
[M+NH4]+ 402.14497 205.5
[M+K]+ 423.07431 191.7
[M+H-H2O]+ 367.10841 181.9
[M+HCOO]- 429.10935 207.8
[M+CH3COO]- 443.12500 203.5
[M+Na-2H]- 405.08582 190.8
[M]+ 384.11060 192.6
[M]- 384.11170 192.6
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.