CID 12150004

1257521-56-4

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

CC1=CSC(=N1)C2CCNC2

InChI

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

InChIKey

ACPQVAZLVXNZMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 168.07211 Da
Monoisotopic Mass: 1.1
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]+	169.079386	135.9
[M+Na]+	191.061328	144.5
[M-H]-	167.064834	139.2
[M+NH4]+	186.105933	157.4
[M+K]+	207.035268	141.8
[M+H-H2O]+	151.069370	129.6
[M+HCOO]-	213.070311	152.1
[M+CH3COO]-	227.085961	148.9
[M+Na-2H]-	189.046776	135.2
[M]+	168.07156142	133.9
[M]-	168.07265858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe