CID 5961

L-glutamine

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

InChIKey

ZDXPYRJPNDTMRX-VKHMYHEASA-N

Compound name

(2S)-2,5-diamino-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 39405
References: 71368
Patents: 146.06914 Da
Monoisotopic Mass: -3.1
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]+	147.07642	130.7
[M+Na]+	169.05836	136.3
[M+NH4]+	164.10296	135.8
[M+K]+	185.03230	135.0
[M-H]-	145.06186	128.1
[M+Na-2H]-	167.04381	131.0
[M]+	146.06859	129.9
[M]-	146.06969	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe