CID 13670207

96804-33-0

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(=O)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C8H16N2O3/c1-7(11)10(9(2)3)6-5-8(12)13-4/h5-6H2,1-4H3
InChIKey
PSOGQICWCCSJOW-UHFFFAOYSA-N
Compound name
methyl 3-[acetyl(dimethylamino)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.11609 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 142.8
[M+Na]+ 211.105308 148.1
[M-H]- 187.108814 145.9
[M+NH4]+ 206.149913 163.2
[M+K]+ 227.079248 151.2
[M+H-H2O]+ 171.113350 136.6
[M+HCOO]- 233.114291 168.2
[M+CH3COO]- 247.129941 194.6
[M+Na-2H]- 209.090756 145.3
[M]+ 188.11554142 147.3
[M]- 188.11663858 147.3
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