CID 112993

63059-37-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₅

SMILES

CCCCN1C(=O)CC(=O)N(C1=O)CC(=O)O

InChI

InChI=1S/C10H14N2O5/c1-2-3-4-11-7(13)5-8(14)12(10(11)17)6-9(15)16/h2-6H2,1H3,(H,15,16)

InChIKey

QRISBXMPYXNSJX-UHFFFAOYSA-N

Compound name

2-(3-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 242.09027 Da
Monoisotopic Mass: 0.0
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]+	243.09755	153.8
[M+Na]+	265.07949	162.6
[M+NH4]+	260.12409	157.4
[M+K]+	281.05343	159.7
[M-H]-	241.08299	150.7
[M+Na-2H]-	263.06494	154.0
[M]+	242.08972	153.5
[M]-	242.09082	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe