CID 7016082

Ser-gln

Structural Information

Molecular Formula

C₈H₁₅N₃O₅

SMILES

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

InChI

InChI=1S/C8H15N3O5/c9-4(3-12)7(14)11-5(8(15)16)1-2-6(10)13/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1

InChIKey

UJTZHGHXJKIAOS-WHFBIAKZSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3681
Patents: 233.10117 Da
Monoisotopic Mass: -5.0
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]+	234.108446	152.1
[M+Na]+	256.090388	154.4
[M-H]-	232.093894	148.2
[M+NH4]+	251.134993	166.1
[M+K]+	272.064328	154.8
[M+H-H2O]+	216.098430	145.4
[M+HCOO]-	278.099371	170.6
[M+CH3COO]-	292.115021	194.6
[M+Na-2H]-	254.075836	149.3
[M]+	233.10062142	147.4
[M]-	233.10171858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe