CID 45791783

Ethyl 4-(chlorosulfonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C7H13ClN2O4S
SMILES
CCOC(=O)N1CCN(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClN2O4S/c1-2-14-7(11)9-3-5-10(6-4-9)15(8,12)13/h2-6H2,1H3
InChIKey
SIIYDBGQBHYKOH-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.02844 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03572 150.5
[M+Na]+ 279.01766 157.8
[M-H]- 255.02116 151.2
[M+NH4]+ 274.06226 166.0
[M+K]+ 294.99160 155.4
[M+H-H2O]+ 239.02570 144.9
[M+HCOO]- 301.02664 157.9
[M+CH3COO]- 315.04229 186.1
[M+Na-2H]- 277.00311 152.5
[M]+ 256.02789 153.1
[M]- 256.02899 153.1
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

No patent data available for this compound.