CID 21688987

138588-29-1

Structural Information

Molecular Formula

C₆H₁₀N₄OS

SMILES

C1COCCN1C2=NSC(=N2)N

InChI

InChI=1S/C6H10N4OS/c7-5-8-6(9-12-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,8,9)

InChIKey

NOSLHBNBTKXKFX-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 186.05753 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]+	187.064806	136.4
[M+Na]+	209.046748	144.4
[M-H]-	185.050254	139.4
[M+NH4]+	204.091353	152.6
[M+K]+	225.020688	143.0
[M+H-H2O]+	169.054790	128.5
[M+HCOO]-	231.055731	150.9
[M+CH3COO]-	245.071381	148.6
[M+Na-2H]-	207.032196	139.0
[M]+	186.05698142	133.8
[M]-	186.05807858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe