CID 274128

16849-87-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
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

literature stripe

Patent stripe

patents stripe