CID 2724186

Ethyl serinate

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CCOC(=O)[C@H](CO)N

InChI

InChI=1S/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1

InChIKey

GKCXXDSWWDWUHS-BYPYZUCNSA-N

Compound name

ethyl (2S)-2-amino-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1414
Patents: 133.0739 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.081176	127.9
[M+Na]+	156.063118	134.1
[M-H]-	132.066624	126.5
[M+NH4]+	151.107723	148.5
[M+K]+	172.037058	134.5
[M+H-H2O]+	116.071160	123.1
[M+HCOO]-	178.072101	149.8
[M+CH3COO]-	192.087751	171.8
[M+Na-2H]-	154.048566	131.5
[M]+	133.07335142	127.3
[M]-	133.07444858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe