CID 139186

Dtxsid70713150

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CN1CCCN(C1)C

InChI

InChI=1S/C6H14N2/c1-7-4-3-5-8(2)6-7/h3-6H2,1-2H3

InChIKey

DCPLDPXQOOHYSU-UHFFFAOYSA-N

Compound name

1,3-dimethyl-1,3-diazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1529
Patents: 114.1157 Da
Monoisotopic Mass: 0.5
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]+	115.12298	125.1
[M+Na]+	137.10492	131.7
[M-H]-	113.10842	125.4
[M+NH4]+	132.14952	145.2
[M+K]+	153.07886	131.2
[M+H-H2O]+	97.112960	118.4
[M+HCOO]-	159.11390	143.7
[M+CH3COO]-	173.12955	169.9
[M+Na-2H]-	135.09037	131.2
[M]+	114.11515	121.0
[M]-	114.11625	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe