CID 468643

158364-47-7

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC(=NNC(=O)C1=CC=CO1)C

InChI

InChI=1S/C8H10N2O2/c1-6(2)9-10-8(11)7-4-3-5-12-7/h3-5H,1-2H3,(H,10,11)

InChIKey

DGYKVKNUNXLOIU-UHFFFAOYSA-N

Compound name

N-(propan-2-ylideneamino)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 166.07423 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]+	167.08151	135.9
[M+Na]+	189.06345	142.4
[M-H]-	165.06695	141.6
[M+NH4]+	184.10805	156.7
[M+K]+	205.03739	143.3
[M+H-H2O]+	149.07149	129.5
[M+HCOO]-	211.07243	162.9
[M+CH3COO]-	225.08808	183.3
[M+Na-2H]-	187.04890	141.8
[M]+	166.07368	137.0
[M]-	166.07478	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe