CID 439216

L-dihydroorotic acid

Structural Information

Molecular Formula

C₅H₆N₂O₄

SMILES

C1[C@H](NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1

InChIKey

UFIVEPVSAGBUSI-REOHCLBHSA-N

Compound name

(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 374
References: 2756
Patents: 158.03276 Da
Monoisotopic Mass: -1.5
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]+	159.04004	131.6
[M+Na]+	181.02198	140.0
[M+NH4]+	176.06658	136.2
[M+K]+	196.99592	137.9
[M-H]-	157.02548	128.3
[M+Na-2H]-	179.00743	132.7
[M]+	158.03221	131.1
[M]-	158.03331	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe