CID 95422

Ethyl acetamidocyanoacetate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C(C#N)NC(=O)C
InChI
InChI=1S/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10)
InChIKey
SLIRLABNGAZSHX-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

308
Patents

170.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 136.7
[M+Na]+ 193.05836 144.2
[M-H]- 169.06186 137.4
[M+NH4]+ 188.10296 154.6
[M+K]+ 209.03230 145.2
[M+H-H2O]+ 153.06640 124.8
[M+HCOO]- 215.06734 155.9
[M+CH3COO]- 229.08299 193.9
[M+Na-2H]- 191.04381 139.6
[M]+ 170.06859 133.1
[M]- 170.06969 133.1
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