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]+ 191.102626 142.1
[M+Na]+ 213.084568 146.4
[M-H]- 189.088074 140.2
[M+NH4]+ 208.129173 159.6
[M+K]+ 229.058508 146.8
[M+H-H2O]+ 173.092610 136.1
[M+HCOO]- 235.093551 163.7
[M+CH3COO]- 249.109201 185.3
[M+Na-2H]- 211.070016 143.6
[M]+ 190.09480142 141.3
[M]- 190.09589858 141.3
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.