CID 23041969

(1-methylpiperidin-4-yl)thiourea

Structural Information

Molecular Formula

C₇H₁₅N₃S

SMILES

CN1CCC(CC1)NC(=S)N

InChI

InChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11)

InChIKey

MSTNCTVIENDXHQ-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 173.09866 Da
Monoisotopic Mass: 0.2
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]+	174.10594	137.2
[M+Na]+	196.08788	145.1
[M+NH4]+	191.13248	145.4
[M+K]+	212.06182	138.4
[M-H]-	172.09138	139.3
[M+Na-2H]-	194.07333	140.8
[M]+	173.09811	139.0
[M]-	173.09921	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe