CID 5324722

Diethyl 2,3-dicyanofumarate

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CCOC(=O)/C(=C(\C#N)/C(=O)OCC)/C#N
InChI
InChI=1S/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3/b8-7+
InChIKey
WOLPMKLWSJWZNO-BQYQJAHWSA-N
Compound name
diethyl (E)-2,3-dicyanobut-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

222.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 157.8
[M+Na]+ 245.05328 165.5
[M-H]- 221.05678 159.8
[M+NH4]+ 240.09788 169.7
[M+K]+ 261.02722 165.4
[M+H-H2O]+ 205.06132 143.0
[M+HCOO]- 267.06226 168.5
[M+CH3COO]- 281.07791 218.8
[M+Na-2H]- 243.03873 156.9
[M]+ 222.06351 152.0
[M]- 222.06461 152.0
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