CID 55289087

4-amino-2-(2-aminoethyl)butanoic acid dihydrochloride

Structural Information

Molecular Formula
C6H14N2O2
SMILES
C(CN)C(CCN)C(=O)O
InChI
InChI=1S/C6H14N2O2/c7-3-1-5(2-4-8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
InChIKey
ZEDMWCZZMFUPFY-UHFFFAOYSA-N
Compound name
4-amino-2-(2-aminoethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

146.10553 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11281 133.7
[M+Na]+ 169.09475 138.5
[M-H]- 145.09825 131.4
[M+NH4]+ 164.13935 153.0
[M+K]+ 185.06869 137.8
[M+H-H2O]+ 129.10279 128.2
[M+HCOO]- 191.10373 155.3
[M+CH3COO]- 205.11938 177.9
[M+Na-2H]- 167.08020 135.7
[M]+ 146.10498 130.1
[M]- 146.10608 130.1
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

patents stripe