CID 5368010

Crotetamide

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C

InChI

InChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+

InChIKey

LSAMUAYPDHUBQD-RMKNXTFCSA-N

Compound name

2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1481
Patents: 226.16812 Da
Monoisotopic Mass: 1.4
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]+	227.17540	157.0
[M+Na]+	249.15734	163.3
[M+NH4]+	244.20194	162.4
[M+K]+	265.13128	160.0
[M-H]-	225.16084	156.0
[M+Na-2H]-	247.14279	158.0
[M]+	226.16757	157.0
[M]-	226.16867	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe