CID 19915765

69389-13-5

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CC1=C(SC(=N1)N2CCNCC2)C

InChI

InChI=1S/C9H15N3S/c1-7-8(2)13-9(11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3

InChIKey

XFKCBYOBDPYRRI-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 197.09866 Da
Monoisotopic Mass: 1.6
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]+	198.10594	143.9
[M+Na]+	220.08788	155.2
[M+NH4]+	215.13248	152.4
[M+K]+	236.06182	148.8
[M-H]-	196.09138	145.9
[M+Na-2H]-	218.07333	148.9
[M]+	197.09811	146.4
[M]-	197.09921	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe