CID 3009814

85865-96-9

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂S₂

SMILES

CC1CN(CC(O1)C)SSN2CC(OC(C2)C)C

InChI

InChI=1S/C12H24N2O2S2/c1-9-5-13(6-10(2)15-9)17-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3

InChIKey

HKFSGPJTXXTDTB-UHFFFAOYSA-N

Compound name

4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 292.12793 Da
Monoisotopic Mass: 2.4
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]+	293.135206	165.1
[M+Na]+	315.117148	170.6
[M-H]-	291.120654	169.0
[M+NH4]+	310.161753	176.6
[M+K]+	331.091088	168.8
[M+H-H2O]+	275.125190	157.8
[M+HCOO]-	337.126131	167.7
[M+CH3COO]-	351.141781	200.7
[M+Na-2H]-	313.102596	162.2
[M]+	292.12738142	164.4
[M]-	292.12847858	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe