CID 104430

N-[3-(dimethylamino)propyl]propanamide

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

106
Patents

158.1419 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 138.8
[M+Na]+ 181.131118 143.7
[M-H]- 157.134624 140.2
[M+NH4]+ 176.175723 159.8
[M+K]+ 197.105058 144.6
[M+H-H2O]+ 141.139160 132.9
[M+HCOO]- 203.140101 163.8
[M+CH3COO]- 217.155751 187.7
[M+Na-2H]- 179.116566 143.0
[M]+ 158.14135142 140.4
[M]- 158.14244858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe