CID 2760463

206761-87-7

Structural Information

Molecular Formula

C₈H₁₇N₃S

SMILES

C1CCN(CC1)CCNC(=S)N

InChI

InChI=1S/C8H17N3S/c9-8(12)10-4-7-11-5-2-1-3-6-11/h1-7H2,(H3,9,10,12)

InChIKey

ANIWOJALUCBCGB-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 187.11432 Da
Monoisotopic Mass: 0.5
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]+	188.12160	141.5
[M+Na]+	210.10354	144.8
[M-H]-	186.10704	141.9
[M+NH4]+	205.14814	159.1
[M+K]+	226.07748	142.0
[M+H-H2O]+	170.11158	134.4
[M+HCOO]-	232.11252	155.8
[M+CH3COO]-	246.12817	184.2
[M+Na-2H]-	208.08899	142.6
[M]+	187.11377	135.5
[M]-	187.11487	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe