CID 3466833

4-amino-4-(methoxymethyl-amino)-butyric acid

Structural Information

Molecular Formula
C6H14N2O3
SMILES
COCNC(CCC(=O)O)N
InChI
InChI=1S/C6H14N2O3/c1-11-4-8-5(7)2-3-6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)
InChIKey
PFOQSRZQXZJJOB-UHFFFAOYSA-N
Compound name
4-amino-4-(methoxymethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.10045 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10773 135.3
[M+Na]+ 185.08967 141.2
[M+NH4]+ 180.13427 140.7
[M+K]+ 201.06361 138.8
[M-H]- 161.09317 133.3
[M+Na-2H]- 183.07512 136.3
[M]+ 162.09990 134.8
[M]- 162.10100 134.8
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.