CID 19054

3534-32-5

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=C2C(=CC=C1)CN(CO2)C

InChI

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

InChIKey

CHTFTJLTMNDZBC-UHFFFAOYSA-N

Compound name

3,8-dimethyl-2,4-dihydro-1,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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]+	164.10700	133.1
[M+Na]+	186.08894	141.5
[M-H]-	162.09244	136.9
[M+NH4]+	181.13354	152.7
[M+K]+	202.06288	140.4
[M+H-H2O]+	146.09698	126.6
[M+HCOO]-	208.09792	152.4
[M+CH3COO]-	222.11357	179.3
[M+Na-2H]-	184.07439	141.5
[M]+	163.09917	132.6
[M]-	163.10027	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe