CID 2736683

3-isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione

Structural Information

Molecular Formula
C19H34O3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(C(=O)C1=O)OC(C)C
InChI
InChI=1S/C7H7O3.3C4H9.Sn/c1-4(2)10-6-3-5(8)7(6)9;3*1-3-4-2;/h4H,1-2H3;3*1,3-4H2,2H3;
InChIKey
AMVLEBHYELFWJT-UHFFFAOYSA-N
Compound name
3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

430.15298 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16026 204.3
[M+Na]+ 453.14220 208.2
[M-H]- 429.14570 206.4
[M+NH4]+ 448.18680 211.9
[M+K]+ 469.11614 207.7
[M+H-H2O]+ 413.15024 191.8
[M+HCOO]- 475.15118 221.7
[M+CH3COO]- 489.16683 221.6
[M+Na-2H]- 451.12765 200.7
[M]+ 430.15243 221.9
[M]- 430.15353 221.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe