CID 30629

21440-96-0

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1(C2=CC=CC=C2NC(=O)O1)C

InChI

InChI=1S/C10H11NO2/c1-10(2)7-5-3-4-6-8(7)11-9(12)13-10/h3-6H,1-2H3,(H,11,12)

InChIKey

DXRDETPOBPURRD-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 177.07898 Da
Monoisotopic Mass: 1.7
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]+	178.08626	135.4
[M+Na]+	200.06820	144.6
[M-H]-	176.07170	138.3
[M+NH4]+	195.11280	155.6
[M+K]+	216.04214	142.8
[M+H-H2O]+	160.07624	129.6
[M+HCOO]-	222.07718	153.6
[M+CH3COO]-	236.09283	177.5
[M+Na-2H]-	198.05365	144.4
[M]+	177.07843	134.2
[M]-	177.07953	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe