CID 81682799

Sodium 3-[2-(dimethylamino)-n-methylacetamido]propanoate

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CN(C)CC(=O)N(C)CCC(=O)O
InChI
InChI=1S/C8H16N2O3/c1-9(2)6-7(11)10(3)5-4-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKey
OZFBVDOQSRNXBG-UHFFFAOYSA-N
Compound name
3-[[2-(dimethylamino)acetyl]-methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 143.3
[M+Na]+ 211.105308 148.0
[M-H]- 187.108814 144.9
[M+NH4]+ 206.149913 162.8
[M+K]+ 227.079248 150.3
[M+H-H2O]+ 171.113350 137.2
[M+HCOO]- 233.114291 167.1
[M+CH3COO]- 247.129941 192.6
[M+Na-2H]- 209.090756 145.2
[M]+ 188.11554142 145.9
[M]- 188.11663858 145.9
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.