CID 3084813

41008-10-0

Structural Information

Molecular Formula
C11H17NO4S
SMILES
CCN(CCOS(=O)(=O)O)C1=CC=CC(=C1)C
InChI
InChI=1S/C11H17NO4S/c1-3-12(7-8-16-17(13,14)15)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,13,14,15)
InChIKey
LELANZDZYBEHBR-UHFFFAOYSA-N
Compound name
2-(N-ethyl-3-methylanilino)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

259.08783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09511 157.1
[M+Na]+ 282.07705 166.4
[M+NH4]+ 277.12165 163.4
[M+K]+ 298.05099 160.4
[M-H]- 258.08055 157.4
[M+Na-2H]- 280.06250 161.4
[M]+ 259.08728 158.7
[M]- 259.08838 158.7
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