CID 136334

1,2-diazinane dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C1CCNNC1

InChI

InChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2

InChIKey

HTFFABIIOAKIBH-UHFFFAOYSA-N

Compound name

diazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 11150
Patents: 86.0844 Da
Monoisotopic Mass: 0.0
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]+	87.091676	118.2
[M+Na]+	109.07362	122.8
[M-H]-	85.077124	115.2
[M+NH4]+	104.11822	137.3
[M+K]+	125.04756	121.0
[M+H-H2O]+	69.081660	111.8
[M+HCOO]-	131.08260	134.4
[M+CH3COO]-	145.09825	156.3
[M+Na-2H]-	107.05907	125.8
[M]+	86.083851	108.8
[M]-	86.084949	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe