CID 107318218

1697792-75-8

Structural Information

Molecular Formula
C8H18N2O3
SMILES
C(CCNCC(C(=O)O)N)CCO
InChI
InChI=1S/C8H18N2O3/c9-7(8(12)13)6-10-4-2-1-3-5-11/h7,10-11H,1-6,9H2,(H,12,13)
InChIKey
CAEQNWYTUIIVJD-UHFFFAOYSA-N
Compound name
2-amino-3-(5-hydroxypentylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13174 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.139016 145.0
[M+Na]+ 213.120958 148.5
[M-H]- 189.124464 141.4
[M+NH4]+ 208.165563 162.0
[M+K]+ 229.094898 147.3
[M+H-H2O]+ 173.129000 139.1
[M+HCOO]- 235.129941 165.4
[M+CH3COO]- 249.145591 184.3
[M+Na-2H]- 211.106406 146.7
[M]+ 190.13119142 142.8
[M]- 190.13228858 142.8
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.