CID 210617

21440-99-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-11(2)7-5-4-6-8(14-3)9(7)12-10(13)15-11/h4-6H,1-3H3,(H,12,13)

InChIKey

NIZXOVYCLLXMQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 207.08954 Da
Monoisotopic Mass: 1.6
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]+	208.09682	142.6
[M+Na]+	230.07876	152.3
[M-H]-	206.08226	145.7
[M+NH4]+	225.12336	161.9
[M+K]+	246.05270	150.8
[M+H-H2O]+	190.08680	136.8
[M+HCOO]-	252.08774	160.7
[M+CH3COO]-	266.10339	183.9
[M+Na-2H]-	228.06421	150.6
[M]+	207.08899	143.7
[M]-	207.09009	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe