CID 12571000

3-methyl-1-phenylhexahydropyridazine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1CCCN(N1)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c1-10-6-5-9-13(12-10)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3

InChIKey

LKXOGCXRDABXIA-UHFFFAOYSA-N

Compound name

3-methyl-1-phenyldiazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.13135 Da
Monoisotopic Mass: 2.7
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]+	177.13863	141.2
[M+Na]+	199.12057	154.5
[M+NH4]+	194.16517	150.2
[M+K]+	215.09451	146.9
[M-H]-	175.12407	144.7
[M+Na-2H]-	197.10602	149.3
[M]+	176.13080	144.1
[M]-	176.13190	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe