CID 135611797

2-cyano-3-(n,n-dimethylformimidoyl)-3-hydroxyacrylic acid ethyl ester

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CCOC(=O)/C(=C(\N=C\N(C)C)/O)/C#N
InChI
InChI=1S/C9H13N3O3/c1-4-15-9(14)7(5-10)8(13)11-6-12(2)3/h6,13H,4H2,1-3H3/b8-7+,11-6+
InChIKey
RLRDKVWTLDTQAY-AHMRAIAHSA-N
Compound name
ethyl (E)-2-cyano-3-[(E)-dimethylaminomethylideneamino]-3-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 150.3
[M+Na]+ 234.08491 156.3
[M+NH4]+ 229.12951 151.8
[M+K]+ 250.05885 150.6
[M-H]- 210.08841 141.4
[M+Na-2H]- 232.07036 149.0
[M]+ 211.09514 147.2
[M]- 211.09624 147.2
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.