CID 146681100

O-(2-acetamidoethyl)-l-serine

Structural Information

Molecular Formula
C7H14N2O4
SMILES
CC(=O)NCCOC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H14N2O4/c1-5(10)9-2-3-13-4-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
PXEORARDVWCTHU-LURJTMIESA-N
Compound name
(2S)-3-(2-acetamidoethoxy)-2-aminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09535 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10263 142.2
[M+Na]+ 213.08457 147.2
[M+NH4]+ 208.12917 146.5
[M+K]+ 229.05851 145.8
[M-H]- 189.08807 139.1
[M+Na-2H]- 211.07002 142.0
[M]+ 190.09480 141.1
[M]- 190.09590 141.1
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

No patent data available for this compound.