CID 5093110

Methyl (4-methyl-1-piperazinyl)carbothioylcarbamate

Structural Information

Molecular Formula
C8H15N3O2S
SMILES
CN1CCN(CC1)C(=S)NC(=O)OC
InChI
InChI=1S/C8H15N3O2S/c1-10-3-5-11(6-4-10)7(14)9-8(12)13-2/h3-6H2,1-2H3,(H,9,12,14)
InChIKey
VPLYGTXBPICDGH-UHFFFAOYSA-N
Compound name
methyl N-(4-methylpiperazine-1-carbothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09578 148.6
[M+Na]+ 240.07772 153.7
[M-H]- 216.08122 148.9
[M+NH4]+ 235.12232 164.6
[M+K]+ 256.05166 152.2
[M+H-H2O]+ 200.08576 141.4
[M+HCOO]- 262.08670 161.1
[M+CH3COO]- 276.10235 186.0
[M+Na-2H]- 238.06317 148.7
[M]+ 217.08795 146.6
[M]- 217.08905 146.6
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