CID 367858

7190-52-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CC(=O)NN(C1)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O/c13-10-7-4-8-12(11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,13)

InChIKey

XHYBFCBDMIPDON-UHFFFAOYSA-N

Compound name

1-phenyldiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 23
Patents: 176.09496 Da
Monoisotopic Mass: 1.6
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]+	177.102236	138.3
[M+Na]+	199.084178	144.4
[M-H]-	175.087684	140.2
[M+NH4]+	194.128783	154.6
[M+K]+	215.058118	140.7
[M+H-H2O]+	159.092220	130.1
[M+HCOO]-	221.093161	156.0
[M+CH3COO]-	235.108811	149.7
[M+Na-2H]-	197.069626	144.3
[M]+	176.09441142	131.9
[M]-	176.09550858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe