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

2
Annotation Hits: 3
References: 900
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]+	241.19106	161.3
[M+Na]+	263.17300	167.4
[M+NH4]+	258.21760	166.6
[M+K]+	279.14694	163.9
[M-H]-	239.17650	160.2
[M+Na-2H]-	261.15845	162.0
[M]+	240.18323	161.3
[M]-	240.18433	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe