CID 14060551

2-amino-n-(cyanomethyl)acetamide

Structural Information

Molecular Formula
C4H7N3O
SMILES
C(C#N)NC(=O)CN
InChI
InChI=1S/C4H7N3O/c5-1-2-7-4(8)3-6/h2-3,6H2,(H,7,8)
InChIKey
MTHUPGKUEISSDE-UHFFFAOYSA-N
Compound name
2-amino-N-(cyanomethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

113.058914 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 123.1
[M+Na]+ 136.04813 131.0
[M-H]- 112.05164 123.5
[M+NH4]+ 131.09274 142.6
[M+K]+ 152.02207 131.4
[M+H-H2O]+ 96.056174 111.4
[M+HCOO]- 158.05712 144.5
[M+CH3COO]- 172.07276 185.8
[M+Na-2H]- 134.03358 128.8
[M]+ 113.05837 116.1
[M]- 113.05946 116.1
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