CID 104430

53201-66-4

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCC(=O)NCCCN(C)C

InChI

InChI=1S/C8H18N2O/c1-4-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

InChIKey

LPRTUAMEQDRMAZ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 104
Patents: 158.1419 Da
Monoisotopic Mass: 0.4
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]+	159.14918	138.8
[M+Na]+	181.13112	143.7
[M-H]-	157.13462	140.2
[M+NH4]+	176.17572	159.8
[M+K]+	197.10506	144.6
[M+H-H2O]+	141.13916	132.9
[M+HCOO]-	203.14010	163.8
[M+CH3COO]-	217.15575	187.7
[M+Na-2H]-	179.11657	143.0
[M]+	158.14135	140.4
[M]-	158.14245	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe