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]+ 191.13902 145.0
[M+Na]+ 213.12096 148.5
[M-H]- 189.12446 141.4
[M+NH4]+ 208.16556 162.0
[M+K]+ 229.09490 147.3
[M+H-H2O]+ 173.12900 139.1
[M+HCOO]- 235.12994 165.4
[M+CH3COO]- 249.14559 184.3
[M+Na-2H]- 211.10641 146.7
[M]+ 190.13119 142.8
[M]- 190.13229 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.