CID 52319808

1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CC1=NC=C(S1)CN2CCNCC2

InChI

InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3

InChIKey

JBVOQOLBRWVANK-UHFFFAOYSA-N

Compound name

2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 197.09866 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]+	198.10594	143.6
[M+Na]+	220.08788	154.4
[M+NH4]+	215.13248	152.0
[M+K]+	236.06182	147.9
[M-H]-	196.09138	145.5
[M+Na-2H]-	218.07333	148.8
[M]+	197.09811	145.9
[M]-	197.09921	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe