CID 135611797

Acrylic acid, 2-cyano-3-(n,n-dimethylformimidoyl)-3-hydroxy-, 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]+ 212.102966 149.3
[M+Na]+ 234.084908 155.6
[M-H]- 210.088414 150.9
[M+NH4]+ 229.129513 165.8
[M+K]+ 250.058848 157.0
[M+H-H2O]+ 194.092950 136.5
[M+HCOO]- 256.093891 169.3
[M+CH3COO]- 270.109541 205.6
[M+Na-2H]- 232.070356 150.6
[M]+ 211.09514142 145.9
[M]- 211.09623858 145.9
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.