CID 61714653

N-[(dimethylcarbamoyl)methyl]-3-(methylamino)propanamide hydrochloride

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CNCCC(=O)NCC(=O)N(C)C
InChI
InChI=1S/C8H17N3O2/c1-9-5-4-7(12)10-6-8(13)11(2)3/h9H,4-6H2,1-3H3,(H,10,12)
InChIKey
CWUMURBOKOELKN-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)-2-oxoethyl]-3-(methylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.139356 144.7
[M+Na]+ 210.121298 148.8
[M-H]- 186.124804 146.1
[M+NH4]+ 205.165903 164.0
[M+K]+ 226.095238 150.1
[M+H-H2O]+ 170.129340 138.1
[M+HCOO]- 232.130281 170.2
[M+CH3COO]- 246.145931 194.1
[M+Na-2H]- 208.106746 147.9
[M]+ 187.13153142 145.5
[M]- 187.13262858 145.5
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

No patent data available for this compound.