CID 55219437

630121-89-0

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

C1CNCC1C2=NC=CS2

InChI

InChI=1S/C7H10N2S/c1-2-8-5-6(1)7-9-3-4-10-7/h3-4,6,8H,1-2,5H2

InChIKey

AKESXMXWTJZWLF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 154.05647 Da
Monoisotopic Mass: 0.7
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]+	155.06375	131.5
[M+Na]+	177.04569	139.7
[M-H]-	153.04919	134.6
[M+NH4]+	172.09029	153.3
[M+K]+	193.01963	137.3
[M+H-H2O]+	137.05373	125.0
[M+HCOO]-	199.05467	148.0
[M+CH3COO]-	213.07032	144.6
[M+Na-2H]-	175.03114	132.0
[M]+	154.05592	128.8
[M]-	154.05702	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe