CID 11990664

2-ethyl-l-serine

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC[C@](CO)(C(=O)O)N

InChI

InChI=1S/C5H11NO3/c1-2-5(6,3-7)4(8)9/h7H,2-3,6H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey

BBDCDIPAXJTFJT-YFKPBYRVSA-N

Compound name

(2S)-2-amino-2-(hydroxymethyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 133.0739 Da
Monoisotopic Mass: -3.3
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]+	134.08118	127.6
[M+Na]+	156.06312	133.9
[M-H]-	132.06662	124.9
[M+NH4]+	151.10772	147.5
[M+K]+	172.03706	133.3
[M+H-H2O]+	116.07116	123.6
[M+HCOO]-	178.07210	147.4
[M+CH3COO]-	192.08775	169.3
[M+Na-2H]-	154.04857	132.6
[M]+	133.07335	125.3
[M]-	133.07445	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe