CID 3016924

Schembl11312990

Structural Information

Molecular Formula

C₆H₁₁N₃O₃

SMILES

CCOC(=O)CC=NNC(=O)N

InChI

InChI=1S/C6H11N3O3/c1-2-12-5(10)3-4-8-9-6(7)11/h4H,2-3H2,1H3,(H3,7,9,11)

InChIKey

FJDSLLZMUFNXHB-UHFFFAOYSA-N

Compound name

ethyl 3-(carbamoylhydrazinylidene)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.08005 Da
Monoisotopic Mass: -0.7
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]+	174.087326	136.0
[M+Na]+	196.069268	141.5
[M-H]-	172.072774	137.2
[M+NH4]+	191.113873	155.5
[M+K]+	212.043208	142.3
[M+H-H2O]+	156.077310	129.5
[M+HCOO]-	218.078251	163.0
[M+CH3COO]-	232.093901	187.0
[M+Na-2H]-	194.054716	140.6
[M]+	173.07950142	136.3
[M]-	173.08059858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe