CID 4739638

1215648-14-8

Structural Information

Molecular Formula
C5H11N3S
SMILES
C1CN(CCN1)C(=S)N
InChI
InChI=1S/C5H11N3S/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)
InChIKey
PVIJLUXKGBJNNI-UHFFFAOYSA-N
Compound name
piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

145.06737 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07465 130.2
[M+Na]+ 168.05659 135.4
[M-H]- 144.06009 128.5
[M+NH4]+ 163.10119 147.9
[M+K]+ 184.03053 132.4
[M+H-H2O]+ 128.06463 123.6
[M+HCOO]- 190.06557 141.9
[M+CH3COO]- 204.08122 170.4
[M+Na-2H]- 166.04204 131.8
[M]+ 145.06682 122.5
[M]- 145.06792 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe