CID 92043024

Methyl 4-amino-2-(2-aminoethyl)butanoate dihydrochloride

Structural Information

Molecular Formula
C7H16N2O2
SMILES
COC(=O)C(CCN)CCN
InChI
InChI=1S/C7H16N2O2/c1-11-7(10)6(2-4-8)3-5-9/h6H,2-5,8-9H2,1H3
InChIKey
DTOAVIKYYOJLJN-UHFFFAOYSA-N
Compound name
methyl 4-amino-2-(2-aminoethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 138.0
[M+Na]+ 183.11041 142.9
[M-H]- 159.11391 137.0
[M+NH4]+ 178.15501 157.6
[M+K]+ 199.08435 142.9
[M+H-H2O]+ 143.11845 132.2
[M+HCOO]- 205.11939 160.9
[M+CH3COO]- 219.13504 182.8
[M+Na-2H]- 181.09586 140.1
[M]+ 160.12064 136.7
[M]- 160.12174 136.7
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.