CID 5354487

2-butenamide

Structural Information

Molecular Formula

SMILES

C/C=C/C(=O)N

InChI

InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+

InChIKey

NQQRXZOPZBKCNF-NSCUHMNNSA-N

Compound name

(E)-but-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2971
Patents: 85.052765 Da
Monoisotopic Mass: 0.0
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]+	86.060041	115.5
[M+Na]+	108.04198	125.2
[M+NH4]+	103.08659	123.4
[M+K]+	124.01592	120.5
[M-H]-	84.045489	115.1
[M+Na-2H]-	106.02743	119.3
[M]+	85.052216	116.4
[M]-	85.053314	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe