CID 11171390

69389-17-9

Structural Information

Molecular Formula

C₇H₁₂N₄S

SMILES

CC1=NN=C(S1)N2CCNCC2

InChI

InChI=1S/C7H12N4S/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3

InChIKey

AXYOQFCCRRADTR-UHFFFAOYSA-N

Compound name

2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 184.07826 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]+	185.08554	139.0
[M+Na]+	207.06748	147.0
[M-H]-	183.07098	139.0
[M+NH4]+	202.11208	155.1
[M+K]+	223.04142	143.6
[M+H-H2O]+	167.07552	130.8
[M+HCOO]-	229.07646	150.6
[M+CH3COO]-	243.09211	150.1
[M+Na-2H]-	205.05293	140.1
[M]+	184.07771	135.2
[M]-	184.07881	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe