CID 22256522

4-methyl-2-(pyrrolidin-2-yl)-1,3-thiazole

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

CC1=CSC(=N1)C2CCCN2

InChI

InChI=1S/C8H12N2S/c1-6-5-11-8(10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3

InChIKey

JRYSNDSTDPDJKN-UHFFFAOYSA-N

Compound name

4-methyl-2-pyrrolidin-2-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 168.07211 Da
Monoisotopic Mass: 1.3
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]+	169.07939	136.2
[M+Na]+	191.06133	146.4
[M+NH4]+	186.10593	145.4
[M+K]+	207.03527	141.9
[M-H]-	167.06483	138.3
[M+Na-2H]-	189.04678	141.1
[M]+	168.07156	138.5
[M]-	168.07266	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe