CID 98341

2-amino-2-cyanoacetamide

Structural Information

Molecular Formula
C3H5N3O
SMILES
C(#N)C(C(=O)N)N
InChI
InChI=1S/C3H5N3O/c4-1-2(5)3(6)7/h2H,5H2,(H2,6,7)
InChIKey
JRWAUKYINYWSTA-UHFFFAOYSA-N
Compound name
2-amino-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

99.04326 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 122.5
[M+Na]+ 122.03248 129.9
[M+NH4]+ 117.07708 126.1
[M+K]+ 138.00642 124.0
[M-H]- 98.035984 114.9
[M+Na-2H]- 120.01793 123.0
[M]+ 99.042711 120.1
[M]- 99.043809 120.1
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

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