CID 3332061

2-aminoprop-2-enamide

Structural Information

Molecular Formula
C3H6N2O
SMILES
C=C(C(=O)N)N
InChI
InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)
InChIKey
IUMRWGYGZHKZKF-UHFFFAOYSA-N
Compound name
2-aminoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1762
Patents

86.04801 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 115.4
[M+Na]+ 109.03723 122.2
[M-H]- 85.040734 115.2
[M+NH4]+ 104.08183 137.8
[M+K]+ 125.01117 122.1
[M+H-H2O]+ 69.045270 110.7
[M+HCOO]- 131.04621 139.5
[M+CH3COO]- 145.06186 168.2
[M+Na-2H]- 107.02268 119.6
[M]+ 86.047461 110.5
[M]- 86.048559 110.5
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