CID 160555

O-(2-aminoethyl)-l-serine

Structural Information

Molecular Formula
C5H12N2O3
SMILES
C(COC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKey
SLTGLTLBIVDQKE-BYPYZUCNSA-N
Compound name
(2S)-2-amino-3-(2-aminoethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

446
Patents

148.0848 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.092076 131.4
[M+Na]+ 171.074018 136.6
[M-H]- 147.077524 129.3
[M+NH4]+ 166.118623 150.5
[M+K]+ 187.047958 136.6
[M+H-H2O]+ 131.082060 125.9
[M+HCOO]- 193.083001 153.6
[M+CH3COO]- 207.098651 177.1
[M+Na-2H]- 169.059466 134.0
[M]+ 148.08425142 128.9
[M]- 148.08534858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe