CID 2734263

83574-63-4

Structural Information

Molecular Formula
C10H15NO6S2
SMILES
CCNC1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O
InChI
InChI=1S/C10H15NO6S2/c1-2-11-9-4-3-5-10(8-9)18(12,13)7-6-17-19(14,15)16/h3-5,8,11H,2,6-7H2,1H3,(H,14,15,16)
InChIKey
BMCYONWPAXGKRH-UHFFFAOYSA-N
Compound name
2-[3-(ethylamino)phenyl]sulfonylethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

309.0341 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04138 165.7
[M+Na]+ 332.02332 172.2
[M-H]- 308.02682 167.1
[M+NH4]+ 327.06792 179.3
[M+K]+ 347.99726 167.6
[M+H-H2O]+ 292.03136 159.2
[M+HCOO]- 354.03230 177.1
[M+CH3COO]- 368.04795 196.5
[M+Na-2H]- 330.00877 170.3
[M]+ 309.03355 170.7
[M]- 309.03465 170.7
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

patents stripe