CID 2740822

Oprea1_306192

Structural Information

Molecular Formula

C₈H₁₁N₃O₂S₂

SMILES

C1COCCN1C(=S)SCC2=NOC=N2

InChI

InChI=1S/C8H11N3O2S2/c14-8(11-1-3-12-4-2-11)15-5-7-9-6-13-10-7/h6H,1-5H2

InChIKey

NHOHQAQVLJJLQP-UHFFFAOYSA-N

Compound name

1,2,4-oxadiazol-3-ylmethyl morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 245.02927 Da
Monoisotopic Mass: 0.6
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]+	246.03655	149.2
[M+Na]+	268.01849	157.1
[M-H]-	244.02199	152.9
[M+NH4]+	263.06309	162.6
[M+K]+	283.99243	156.1
[M+H-H2O]+	228.02653	142.5
[M+HCOO]-	290.02747	156.6
[M+CH3COO]-	304.04312	160.3
[M+Na-2H]-	266.00394	149.2
[M]+	245.02872	149.9
[M]-	245.02982	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.