CID 23587101

866089-28-3

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1(CNC2=CC=CC=C2O1)C

InChI

InChI=1S/C10H13NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3

InChIKey

WILBVUMFTFLAHJ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 163.09972 Da
Monoisotopic Mass: 2.3
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]+	164.106996	133.8
[M+Na]+	186.088938	141.9
[M-H]-	162.092444	136.3
[M+NH4]+	181.133543	154.4
[M+K]+	202.062878	140.1
[M+H-H2O]+	146.096980	127.9
[M+HCOO]-	208.097921	151.6
[M+CH3COO]-	222.113571	146.9
[M+Na-2H]-	184.074386	143.5
[M]+	163.09917142	131.4
[M]-	163.10026858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe