CID 3039132

42326-35-2

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

C1CC(OC1)C(=O)N=C(N)N

InChI

InChI=1S/C6H11N3O2/c7-6(8)9-5(10)4-2-1-3-11-4/h4H,1-3H2,(H4,7,8,9,10)

InChIKey

VCJMHPJMEHOBCT-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)oxolane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 Da
Monoisotopic Mass: -0.4
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]+	158.092406	133.9
[M+Na]+	180.074348	138.2
[M-H]-	156.077854	138.1
[M+NH4]+	175.118953	153.9
[M+K]+	196.048288	139.3
[M+H-H2O]+	140.082390	127.2
[M+HCOO]-	202.083331	158.3
[M+CH3COO]-	216.098981	182.0
[M+Na-2H]-	178.059796	137.1
[M]+	157.08458142	128.6
[M]-	157.08567858	128.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.