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

224
Patents

190.0776 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 144.0
[M+Na]+ 213.06682 151.5
[M-H]- 189.07032 146.6
[M+NH4]+ 208.11142 155.5
[M+K]+ 229.04076 147.7
[M+H-H2O]+ 173.07486 136.8
[M+HCOO]- 235.07580 155.7
[M+CH3COO]- 249.09145 178.0
[M+Na-2H]- 211.05227 147.1
[M]+ 190.07705 142.3
[M]- 190.07815 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