CID 82595155

2137845-30-6

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COCC2=NC=C(N21)CN

InChI

InChI=1S/C7H11N3O/c8-3-6-4-9-7-5-11-2-1-10(6)7/h4H,1-3,5,8H2

InChIKey

LBKUYWUQXZOQRV-UHFFFAOYSA-N

Compound name

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -1.7
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	130.0
[M+Na]+	176.07943	137.8
[M-H]-	152.08293	131.8
[M+NH4]+	171.12403	149.5
[M+K]+	192.05337	137.0
[M+H-H2O]+	136.08747	122.9
[M+HCOO]-	198.08841	150.1
[M+CH3COO]-	212.10406	143.1
[M+Na-2H]-	174.06488	137.2
[M]+	153.08966	127.6
[M]-	153.09076	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.