CID 45496790

1057385-13-3

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
C1CC1S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C7H14N2O2S/c10-12(11,7-1-2-7)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKey
ZLBFRRMSHIALOJ-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

190.0776 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 144.0
[M+Na]+ 213.066818 151.5
[M-H]- 189.070324 146.6
[M+NH4]+ 208.111423 155.5
[M+K]+ 229.040758 147.7
[M+H-H2O]+ 173.074860 136.8
[M+HCOO]- 235.075801 155.7
[M+CH3COO]- 249.091451 178.0
[M+Na-2H]- 211.052266 147.1
[M]+ 190.07705142 142.3
[M]- 190.07814858 142.3
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