CID 71122

Valofane

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N

InChI

InChI=1S/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15)

InChIKey

LVJAHKSVOQLCEV-UHFFFAOYSA-N

Compound name

N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 232
Patents: 226.09535 Da
Monoisotopic Mass: 1.4
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]+	227.10263	148.7
[M+Na]+	249.08457	155.0
[M-H]-	225.08807	152.4
[M+NH4]+	244.12917	168.3
[M+K]+	265.05851	154.7
[M+H-H2O]+	209.09261	144.0
[M+HCOO]-	271.09355	170.7
[M+CH3COO]-	285.10920	191.8
[M+Na-2H]-	247.07002	150.6
[M]+	226.09480	147.4
[M]-	226.09590	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe