CID 41854

2-cyano-1-aziridinecarboxamide

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1C(N1C(=O)N)C#N
InChI
InChI=1S/C4H5N3O/c5-1-3-2-7(3)4(6)8/h3H,2H2,(H2,6,8)
InChIKey
RMSRKYVNQYEPHO-UHFFFAOYSA-N
Compound name
2-cyanoaziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

580
Patents

111.04326 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 119.8
[M+Na]+ 134.03248 135.2
[M-H]- 110.03598 124.7
[M+NH4]+ 129.07708 136.1
[M+K]+ 150.00642 130.9
[M+H-H2O]+ 94.040520 110.0
[M+HCOO]- 156.04146 141.4
[M+CH3COO]- 170.05711 186.5
[M+Na-2H]- 132.01793 127.1
[M]+ 111.04271 117.5
[M]- 111.04381 117.5
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