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
2
Annotation Hits

0
References

57
Patents

260.12598 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.133256 159.3
[M+Na]+ 283.115198 164.4
[M-H]- 259.118704 158.7
[M+NH4]+ 278.159803 176.0
[M+K]+ 299.089138 164.8
[M+H-H2O]+ 243.123240 153.1
[M+HCOO]- 305.124181 181.3
[M+CH3COO]- 319.139831 194.2
[M+Na-2H]- 281.100646 161.1
[M]+ 260.12543142 168.1
[M]- 260.12652858 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