CID 135611798

Acrylic acid, 2-cyano-3-hydroxy-3-(1-methyl-2-piperidylidene)-, ethyl ester

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCOC(=O)/C(=C(/N=C/1\CCCCN1C)\O)/C#N
InChI
InChI=1S/C12H17N3O3/c1-3-18-12(17)9(8-13)11(16)14-10-6-4-5-7-15(10)2/h16H,3-7H2,1-2H3/b11-9-,14-10+
InChIKey
DPQHTWIFXUDQDR-JIYPUEFQSA-N
Compound name
ethyl (Z)-2-cyano-3-hydroxy-3-[(E)-(1-methylpiperidin-2-ylidene)amino]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 157.4
[M+Na]+ 274.11622 162.8
[M-H]- 250.11972 158.2
[M+NH4]+ 269.16082 170.8
[M+K]+ 290.09016 161.2
[M+H-H2O]+ 234.12426 143.7
[M+HCOO]- 296.12520 171.6
[M+CH3COO]- 310.14085 206.4
[M+Na-2H]- 272.10167 157.4
[M]+ 251.12645 149.4
[M]- 251.12755 149.4
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.