CID 54437538

Formyl-l-isoglutamine

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey

WLTXUKAQFBTJKS-BYPYZUCNSA-N

Compound name

(4S)-5-amino-4-formamido-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 6
Patents: 174.06406 Da
Monoisotopic Mass: -2.5
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]+	175.07134	136.9
[M+Na]+	197.05328	142.2
[M+NH4]+	192.09788	141.1
[M+K]+	213.02722	140.9
[M-H]-	173.05678	133.6
[M+Na-2H]-	195.03873	136.9
[M]+	174.06351	135.8
[M]-	174.06461	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe