CID 5369258

Cropropamide

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3/b9-6+

InChIKey

CYZWCBZIBJLKCV-RMKNXTFCSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 1577
Patents: 240.18378 Da
Monoisotopic Mass: 1.9
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]+	241.191056	162.2
[M+Na]+	263.172998	165.7
[M-H]-	239.176504	164.6
[M+NH4]+	258.217603	180.5
[M+K]+	279.146938	166.9
[M+H-H2O]+	223.181040	155.6
[M+HCOO]-	285.181981	184.9
[M+CH3COO]-	299.197631	206.9
[M+Na-2H]-	261.158446	160.8
[M]+	240.18323142	165.7
[M]-	240.18432858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe