CID 84716421

2408972-04-1

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1COC2=C(CN1)C=NC=C2

InChI

InChI=1S/C8H10N2O/c1-2-9-5-7-6-10-3-4-11-8(1)7/h1-2,5,10H,3-4,6H2

InChIKey

KNTWEAKXNZUNIZ-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 150.07932 Da
Monoisotopic Mass: 0.0
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]+	151.086596	125.6
[M+Na]+	173.068538	131.2
[M-H]-	149.072044	127.4
[M+NH4]+	168.113143	141.8
[M+K]+	189.042478	133.4
[M+H-H2O]+	133.076580	118.6
[M+HCOO]-	195.077521	142.3
[M+CH3COO]-	209.093171	137.5
[M+Na-2H]-	171.053986	135.5
[M]+	150.07877142	119.4
[M]-	150.07986858	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe