CID 126787152

1865205-84-0

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CC(=O)N1CCOC2C1CNC2

InChI

InChI=1S/C8H14N2O2/c1-6(11)10-2-3-12-8-5-9-4-7(8)10/h7-9H,2-5H2,1H3

InChIKey

PAFLJSQENSIAIJ-UHFFFAOYSA-N

Compound name

1-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.10553 Da
Monoisotopic Mass: -1.2
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]+	171.112806	137.9
[M+Na]+	193.094748	143.5
[M-H]-	169.098254	138.0
[M+NH4]+	188.139353	156.2
[M+K]+	209.068688	142.8
[M+H-H2O]+	153.102790	131.3
[M+HCOO]-	215.103731	152.1
[M+CH3COO]-	229.119381	174.5
[M+Na-2H]-	191.080196	141.3
[M]+	170.10498142	132.8
[M]-	170.10607858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.