CID 11330431

3-(dimethylamino)propanamide

Structural Information

Molecular Formula
C5H12N2O
SMILES
CN(C)CCC(=O)N
InChI
InChI=1S/C5H12N2O/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKey
NIXQLMVKRBUSPF-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1802
Patents

116.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 125.0
[M+Na]+ 139.08418 131.1
[M-H]- 115.08768 126.4
[M+NH4]+ 134.12878 147.3
[M+K]+ 155.05812 132.4
[M+H-H2O]+ 99.092220 119.6
[M+HCOO]- 161.09316 150.4
[M+CH3COO]- 175.10881 178.5
[M+Na-2H]- 137.06963 129.8
[M]+ 116.09441 124.5
[M]- 116.09551 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe