CID 10080701

2-ethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCC1CNC2=CC=CC=C2O1

InChI

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

InChIKey

FGGVUMQQASDBJD-UHFFFAOYSA-N

Compound name

2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 163.09972 Da
Monoisotopic Mass: 2.6
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]+	164.106996	133.7
[M+Na]+	186.088938	140.8
[M-H]-	162.092444	135.7
[M+NH4]+	181.133543	152.2
[M+K]+	202.062878	138.7
[M+H-H2O]+	146.096980	127.3
[M+HCOO]-	208.097921	151.5
[M+CH3COO]-	222.113571	146.3
[M+Na-2H]-	184.074386	142.4
[M]+	163.09917142	131.0
[M]-	163.10026858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe