CID 28806806

105679-41-2

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)C1=CC2=C(C=C1)OCCN2

InChI

InChI=1S/C11H15NO/c1-8(2)9-3-4-11-10(7-9)12-5-6-13-11/h3-4,7-8,12H,5-6H2,1-2H3

InChIKey

IDYJPRMWUQJDGI-UHFFFAOYSA-N

Compound name

6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 177.11537 Da
Monoisotopic Mass: 2.8
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]+	178.122646	138.8
[M+Na]+	200.104588	145.2
[M-H]-	176.108094	140.7
[M+NH4]+	195.149193	156.7
[M+K]+	216.078528	143.3
[M+H-H2O]+	160.112630	132.3
[M+HCOO]-	222.113571	155.3
[M+CH3COO]-	236.129221	179.4
[M+Na-2H]-	198.090036	145.7
[M]+	177.11482142	135.8
[M]-	177.11591858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe