CID 20839043

34349-21-8

Structural Information

Molecular Formula
C22H36O10Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCCOC)(OC(=O)/C=C\C(=O)OCCOC)CCCC
InChI
InChI=1S/2C7H10O5.2C4H9.Sn/c2*1-11-4-5-12-7(10)3-2-6(8)9;2*1-3-4-2;/h2*2-3H,4-5H2,1H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*3-2-;;;
InChIKey
QJLJZLJTGWMKGT-UDVCPWNYSA-L
Compound name
4-O-[dibutyl-[(Z)-4-(2-methoxyethoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(2-methoxyethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

580.13306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.140336 236.2
[M+Na]+ 603.122278 244.5
[M-H]- 579.125784 238.0
[M+NH4]+ 598.166883 249.6
[M+K]+ 619.096218 240.5
[M+H-H2O]+ 563.130320 238.5
[M+HCOO]- 625.131261 246.4
[M+CH3COO]- 639.146911 236.0
[M+Na-2H]- 601.107726 225.3
[M]+ 580.13251142 236.9
[M]- 580.13360858 236.9
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

patents stripe