CID 2079395

17386-09-3

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

C1CCN(C1)CC2=CSC(=N2)N

InChI

InChI=1S/C8H13N3S/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)

InChIKey

UYCNPLJANDOZKX-UHFFFAOYSA-N

Compound name

4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 183.08302 Da
Monoisotopic Mass: 1.0
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]+	184.09030	138.9
[M+Na]+	206.07224	148.0
[M+NH4]+	201.11684	147.8
[M+K]+	222.04618	144.0
[M-H]-	182.07574	141.6
[M+Na-2H]-	204.05769	143.8
[M]+	183.08247	141.1
[M]-	183.08357	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe