CID 367805

1-ethoxycarbonyl-4-thioformylpiperazine

Structural Information

Molecular Formula
C8H14N2O2S
SMILES
CCOC(=O)N1CCN(CC1)C=S
InChI
InChI=1S/C8H14N2O2S/c1-2-12-8(11)10-5-3-9(7-13)4-6-10/h7H,2-6H2,1H3
InChIKey
QEVGWJCAQIAJRV-UHFFFAOYSA-N
Compound name
ethyl 4-methanethioylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0776 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08488 144.1
[M+Na]+ 225.06682 150.3
[M-H]- 201.07032 144.4
[M+NH4]+ 220.11142 161.1
[M+K]+ 241.04076 148.5
[M+H-H2O]+ 185.07486 137.1
[M+HCOO]- 247.07580 156.7
[M+CH3COO]- 261.09145 181.5
[M+Na-2H]- 223.05227 144.7
[M]+ 202.07705 143.7
[M]- 202.07815 143.7
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

No patent data available for this compound.