CID 106386

Einecs 268-181-0

Structural Information

Molecular Formula
C11H16N3O3S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)OC)[N+]#N
InChI
InChI=1S/C11H16N3O3S/c1-3-4-7-18(15,16)14-9-5-6-11(17-2)10(8-9)13-12/h5-6,8,14H,3-4,7H2,1-2H3/q+1
InChIKey
WQIIPOKWDQUAGV-UHFFFAOYSA-N
Compound name
5-(butylsulfonylamino)-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.09125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09853 165.1
[M+Na]+ 293.08047 174.0
[M-H]- 269.08397 170.2
[M+NH4]+ 288.12507 180.1
[M+K]+ 309.05441 167.2
[M+H-H2O]+ 253.08851 154.1
[M+HCOO]- 315.08945 182.2
[M+CH3COO]- 329.10510 205.7
[M+Na-2H]- 291.06592 171.0
[M]+ 270.09070 163.7
[M]- 270.09180 163.7
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.