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

13
Patents

202.12521 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.132486 143.9
[M+Na]+ 225.114428 146.4
[M-H]- 201.117934 144.3
[M+NH4]+ 220.159033 160.6
[M+K]+ 241.088368 143.5
[M+H-H2O]+ 185.122470 136.3
[M+HCOO]- 247.123411 159.3
[M+CH3COO]- 261.139061 188.7
[M+Na-2H]- 223.099876 145.8
[M]+ 202.12466142 137.1
[M]- 202.12575858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe