CID 2760462

4-(2-piperidinoethyl)-3-thiosemicarbazide

Structural Information

Molecular Formula

C₈H₁₈N₄S

SMILES

C1CCN(CC1)CCNC(=S)NN

InChI

InChI=1S/C8H18N4S/c9-11-8(13)10-4-7-12-5-2-1-3-6-12/h1-7,9H2,(H2,10,11,13)

InChIKey

ZGBPPUPQXGCBLN-UHFFFAOYSA-N

Compound name

1-amino-3-(2-piperidin-1-ylethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 202.12521 Da
Monoisotopic Mass: 0.1
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]+	203.13249	143.9
[M+Na]+	225.11443	146.4
[M-H]-	201.11793	144.3
[M+NH4]+	220.15903	160.6
[M+K]+	241.08837	143.5
[M+H-H2O]+	185.12247	136.3
[M+HCOO]-	247.12341	159.3
[M+CH3COO]-	261.13906	188.7
[M+Na-2H]-	223.09988	145.8
[M]+	202.12466	137.1
[M]-	202.12576	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe