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]+ 169.097146 137.2
[M+Na]+ 191.079088 144.9
[M-H]- 167.082594 139.1
[M+NH4]+ 186.123693 155.9
[M+K]+ 207.053028 145.8
[M+H-H2O]+ 151.087130 125.2
[M+HCOO]- 213.088071 157.3
[M+CH3COO]- 227.103721 197.2
[M+Na-2H]- 189.064536 140.2
[M]+ 168.08932142 134.5
[M]- 168.09041858 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

literature stripe

Patent stripe

patents stripe