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]+ 252.134276 157.4
[M+Na]+ 274.116218 162.8
[M-H]- 250.119724 158.2
[M+NH4]+ 269.160823 170.8
[M+K]+ 290.090158 161.2
[M+H-H2O]+ 234.124260 143.7
[M+HCOO]- 296.125201 171.6
[M+CH3COO]- 310.140851 206.4
[M+Na-2H]- 272.101666 157.4
[M]+ 251.12645142 149.4
[M]- 251.12754858 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.