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]+ 163.107726 135.7
[M+Na]+ 185.089668 140.4
[M-H]- 161.093174 133.9
[M+NH4]+ 180.134273 154.5
[M+K]+ 201.063608 140.6
[M+H-H2O]+ 145.097710 130.0
[M+HCOO]- 207.098651 158.2
[M+CH3COO]- 221.114301 180.7
[M+Na-2H]- 183.075116 138.9
[M]+ 162.09990142 134.6
[M]- 162.10099858 134.6
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.