CID 5941199

2-butenedioic acid, (z)-, bis(2-ethoxyethyl) ester

Structural Information

Molecular Formula
C12H20O6
SMILES
CCOCCOC(=O)/C=C/C(=O)OCCOCC
InChI
InChI=1S/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
InChIKey
FAOJZHMRXJJQCB-AATRIKPKSA-N
Compound name
bis(2-ethoxyethyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

260.12598 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 159.3
[M+Na]+ 283.11520 164.4
[M-H]- 259.11870 158.7
[M+NH4]+ 278.15980 176.0
[M+K]+ 299.08914 164.8
[M+H-H2O]+ 243.12324 153.1
[M+HCOO]- 305.12418 181.3
[M+CH3COO]- 319.13983 194.2
[M+Na-2H]- 281.10065 161.1
[M]+ 260.12543 168.1
[M]- 260.12653 168.1
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