CID 12106605

(piperidin-1-yl)thiourea

Structural Information

Molecular Formula

C₆H₁₃N₃S

SMILES

C1CCN(CC1)NC(=S)N

InChI

InChI=1S/C6H13N3S/c7-6(10)8-9-4-2-1-3-5-9/h1-5H2,(H3,7,8,10)

InChIKey

AGXIQMNTYTZQLU-UHFFFAOYSA-N

Compound name

piperidin-1-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 159.08302 Da
Monoisotopic Mass: 0.6
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]+	160.090296	133.0
[M+Na]+	182.072238	137.2
[M-H]-	158.075744	133.9
[M+NH4]+	177.116843	151.8
[M+K]+	198.046178	134.9
[M+H-H2O]+	142.080280	126.3
[M+HCOO]-	204.081221	148.0
[M+CH3COO]-	218.096871	178.2
[M+Na-2H]-	180.057686	135.1
[M]+	159.08247142	126.3
[M]-	159.08356858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe