CID 736945

Cyclopentylthiourea

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

C1CCC(C1)NC(=S)N

InChI

InChI=1S/C6H12N2S/c7-6(9)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)

InChIKey

VEJCUYXHMQFYGE-UHFFFAOYSA-N

Compound name

cyclopentylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 129
Patents: 144.07211 Da
Monoisotopic Mass: 0.8
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]+	145.07939	130.8
[M+Na]+	167.06133	136.0
[M-H]-	143.06483	133.5
[M+NH4]+	162.10593	153.4
[M+K]+	183.03527	134.0
[M+H-H2O]+	127.06937	125.0
[M+HCOO]-	189.07031	149.1
[M+CH3COO]-	203.08596	175.2
[M+Na-2H]-	165.04678	131.5
[M]+	144.07156	125.8
[M]-	144.07266	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe