CID 1529215

95591-80-3

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C12H16N2O4S/c15-19(16,14-5-3-13-4-6-14)10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9,13H,3-8H2
InChIKey
DHDNZVYHASSKPF-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

284.08307 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.090346 159.3
[M+Na]+ 307.072288 164.7
[M-H]- 283.075794 162.9
[M+NH4]+ 302.116893 169.8
[M+K]+ 323.046228 163.2
[M+H-H2O]+ 267.080330 151.5
[M+HCOO]- 329.081271 166.1
[M+CH3COO]- 343.096921 168.7
[M+Na-2H]- 305.057736 165.2
[M]+ 284.08252142 156.2
[M]- 284.08361858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe