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

3
Annotation Hits: 3
References: 1540
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	157.5
[M+Na]+	249.15734	161.4
[M-H]-	225.16084	160.1
[M+NH4]+	244.20194	176.3
[M+K]+	265.13128	162.9
[M+H-H2O]+	209.16538	151.1
[M+HCOO]-	271.16632	180.5
[M+CH3COO]-	285.18197	203.9
[M+Na-2H]-	247.14279	156.6
[M]+	226.16757	160.6
[M]-	226.16867	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe