CID 3017522

64437-72-5

Structural Information

Molecular Formula

C₅H₉N₃O₂

SMILES

C=CC(=O)NCNC(=O)N

InChI

InChI=1S/C5H9N3O2/c1-2-4(9)7-3-8-5(6)10/h2H,1,3H2,(H,7,9)(H3,6,8,10)

InChIKey

AHFCYFDSTXEZKS-UHFFFAOYSA-N

Compound name

N-[(carbamoylamino)methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 143.06947 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.076746	129.5
[M+Na]+	166.058688	134.9
[M-H]-	142.062194	129.4
[M+NH4]+	161.103293	149.4
[M+K]+	182.032628	134.6
[M+H-H2O]+	126.066730	123.6
[M+HCOO]-	188.067671	155.0
[M+CH3COO]-	202.083321	180.0
[M+Na-2H]-	164.044136	133.9
[M]+	143.06892142	126.0
[M]-	143.07001858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe