CID 13754331

74469-70-8

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-10(2)11-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,12H,1-2H3,(H,11,13)

InChIKey

VNTPFMOUPGCKFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 193.0739 Da
Monoisotopic Mass: 1.3
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]+	194.081176	139.0
[M+Na]+	216.063118	148.7
[M-H]-	192.066624	140.9
[M+NH4]+	211.107723	158.1
[M+K]+	232.037058	146.5
[M+H-H2O]+	176.071160	133.7
[M+HCOO]-	238.072101	155.9
[M+CH3COO]-	252.087751	178.5
[M+Na-2H]-	214.048566	147.0
[M]+	193.07335142	137.9
[M]-	193.07444858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe