CID 54007734

2742653-18-3

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CN(C)CC(C(=O)O)N(C)C
InChI
InChI=1S/C7H16N2O2/c1-8(2)5-6(7(10)11)9(3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKey
NHHQFQRHKGPPHN-UHFFFAOYSA-N
Compound name
2,3-bis(dimethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

160.12119 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 137.4
[M+Na]+ 183.11041 142.2
[M-H]- 159.11391 139.1
[M+NH4]+ 178.15501 158.1
[M+K]+ 199.08435 144.8
[M+H-H2O]+ 143.11845 131.6
[M+HCOO]- 205.11939 161.1
[M+CH3COO]- 219.13504 189.2
[M+Na-2H]- 181.09586 139.7
[M]+ 160.12064 138.9
[M]- 160.12174 138.9
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

patents stripe