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
2
Annotation Hits

0
References

465
Patents

99.04326 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 121.3
[M+Na]+ 122.032478 129.2
[M-H]- 98.035984 121.4
[M+NH4]+ 117.077083 140.8
[M+K]+ 138.006418 129.9
[M+H-H2O]+ 82.040520 109.8
[M+HCOO]- 144.041461 141.4
[M+CH3COO]- 158.057111 183.9
[M+Na-2H]- 120.017926 125.1
[M]+ 99.04271142 112.4
[M]- 99.04380858 112.4
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