CID 117574460

2241139-64-8

Structural Information

Molecular Formula
C8H19N3O2
SMILES
CNC(CNCCN(C)C)C(=O)O
InChI
InChI=1S/C8H19N3O2/c1-9-7(8(12)13)6-10-4-5-11(2)3/h7,9-10H,4-6H2,1-3H3,(H,12,13)
InChIKey
DNNYAIOOFKSVEB-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethylamino]-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.14772 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15500 145.2
[M+Na]+ 212.13694 150.5
[M+NH4]+ 207.18154 150.8
[M+K]+ 228.11088 147.7
[M-H]- 188.14044 144.4
[M+Na-2H]- 210.12239 146.6
[M]+ 189.14717 145.1
[M]- 189.14827 145.1
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.