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]+ 189.12337 143.3
[M+Na]+ 211.10531 148.0
[M-H]- 187.10881 144.9
[M+NH4]+ 206.14991 162.8
[M+K]+ 227.07925 150.3
[M+H-H2O]+ 171.11335 137.2
[M+HCOO]- 233.11429 167.1
[M+CH3COO]- 247.12994 192.6
[M+Na-2H]- 209.09076 145.2
[M]+ 188.11554 145.9
[M]- 188.11664 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.