CID 16684713

2-butenoic acid (z)-, monobutyl ester, anhydride with antimonic acid (h3sbo3), dibutyl ester

Structural Information

Molecular Formula
C16H29O6Sb
SMILES
CCCCOC(=O)/C=C/C(=O)O[Sb](OCCCC)OCCCC
InChI
InChI=1S/C8H12O4.2C4H9O.Sb/c1-2-3-6-12-8(11)5-4-7(9)10;2*1-2-3-4-5;/h4-5H,2-3,6H2,1H3,(H,9,10);2*2-4H2,1H3;/q;2*-1;+3/p-1/b5-4+;;;
InChIKey
CWXKTDDOUBIJDV-WVFFXBQBSA-M
Compound name
1-O-butyl 4-O-dibutoxystibanyl (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.10022 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10750 203.7
[M+Na]+ 461.08944 205.7
[M-H]- 437.09294 201.3
[M+NH4]+ 456.13404 218.7
[M+K]+ 477.06338 204.7
[M+H-H2O]+ 421.09748 195.6
[M+HCOO]- 483.09842 223.8
[M+CH3COO]- 497.11407 213.8
[M+Na-2H]- 459.07489 199.4
[M]+ 438.09967 213.7
[M]- 438.10077 213.7
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.