CID 76682

3216-88-4

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C(CNC(=O)CC#N)NC(=O)CC#N
InChI
InChI=1S/C8H10N4O2/c9-3-1-7(13)11-5-6-12-8(14)2-4-10/h1-2,5-6H2,(H,11,13)(H,12,14)
InChIKey
MLIHWNHXHMKWJO-UHFFFAOYSA-N
Compound name
2-cyano-N-[2-[(2-cyanoacetyl)amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

194.08037 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 154.5
[M+Na]+ 217.069588 161.2
[M-H]- 193.073094 156.1
[M+NH4]+ 212.114193 166.5
[M+K]+ 233.043528 161.2
[M+H-H2O]+ 177.077630 139.2
[M+HCOO]- 239.078571 167.3
[M+CH3COO]- 253.094221 218.7
[M+Na-2H]- 215.055036 155.7
[M]+ 194.07982142 146.4
[M]- 194.08091858 146.4
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

patents stripe