CID 2764700

57338-28-0

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)/C(=C\N(C)C)/C#N
InChI
InChI=1S/C8H12N2O2/c1-4-12-8(11)7(5-9)6-10(2)3/h6H,4H2,1-3H3/b7-6-
InChIKey
RZEPXNTYHXGQOO-SREVYHEPSA-N
Compound name
ethyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

168.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 137.2
[M+Na]+ 191.07909 144.9
[M-H]- 167.08259 139.1
[M+NH4]+ 186.12369 155.9
[M+K]+ 207.05303 145.8
[M+H-H2O]+ 151.08713 125.2
[M+HCOO]- 213.08807 157.3
[M+CH3COO]- 227.10372 197.2
[M+Na-2H]- 189.06454 140.2
[M]+ 168.08932 134.5
[M]- 168.09042 134.5
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.