CID 82750

10595-45-6

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CCN(CC)CCNC(=O)C=C

InChI

InChI=1S/C9H18N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4H,1,5-8H2,2-3H3,(H,10,12)

InChIKey

CXSANWNPQKKNJO-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3028
Patents: 170.1419 Da
Monoisotopic Mass: 0.9
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]+	171.14918	141.8
[M+Na]+	193.13112	146.6
[M-H]-	169.13462	143.1
[M+NH4]+	188.17572	162.3
[M+K]+	209.10506	146.7
[M+H-H2O]+	153.13916	135.8
[M+HCOO]-	215.14010	166.8
[M+CH3COO]-	229.15575	189.8
[M+Na-2H]-	191.11657	145.6
[M]+	170.14135	143.1
[M]-	170.14245	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe