CID 155820491

189177-55-7

Structural Information

Molecular Formula
C8H17N3O2
SMILES
CNC(=O)CNC(=O)CCN(C)C
InChI
InChI=1S/C8H17N3O2/c1-9-8(13)6-10-7(12)4-5-11(2)3/h4-6H2,1-3H3,(H,9,13)(H,10,12)
InChIKey
IFVSAOLYQOFFHS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.13208 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.13936 144.7
[M+Na]+ 210.12130 148.8
[M-H]- 186.12480 146.1
[M+NH4]+ 205.16590 164.0
[M+K]+ 226.09524 150.1
[M+H-H2O]+ 170.12934 138.1
[M+HCOO]- 232.13028 170.2
[M+CH3COO]- 246.14593 194.1
[M+Na-2H]- 208.10675 147.9
[M]+ 187.13153 145.5
[M]- 187.13263 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.