CID 138991167

2309474-45-9

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COCCN2C1=NC=C2N

InChI

InChI=1S/C7H11N3O/c8-6-5-9-7-1-3-11-4-2-10(6)7/h5H,1-4,8H2

InChIKey

BAAYRLPQYMEVTH-UHFFFAOYSA-N

Compound name

5,6,8,9-tetrahydroimidazo[1,2-d][1,4]oxazepin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -0.5
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]+	154.09749	127.2
[M+Na]+	176.07943	133.5
[M-H]-	152.08293	130.4
[M+NH4]+	171.12403	145.4
[M+K]+	192.05337	136.2
[M+H-H2O]+	136.08747	119.6
[M+HCOO]-	198.08841	146.7
[M+CH3COO]-	212.10406	139.8
[M+Na-2H]-	174.06488	134.1
[M]+	153.08966	121.9
[M]-	153.09076	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.