CID 170282

2-(4-aminophenoxy)ethyl hydrogen sulphate

Structural Information

Molecular Formula
C8H11NO5S
SMILES
C1=CC(=CC=C1N)OCCOS(=O)(=O)O
InChI
InChI=1S/C8H11NO5S/c9-7-1-3-8(4-2-7)13-5-6-14-15(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
InChIKey
JRJFJFUPGABGSY-UHFFFAOYSA-N
Compound name
2-(4-aminophenoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

233.0358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.043076 145.9
[M+Na]+ 256.025018 153.6
[M-H]- 232.028524 147.9
[M+NH4]+ 251.069623 162.8
[M+K]+ 271.998958 151.1
[M+H-H2O]+ 216.033060 139.8
[M+HCOO]- 278.034001 164.2
[M+CH3COO]- 292.049651 184.2
[M+Na-2H]- 254.010466 150.7
[M]+ 233.03525142 149.4
[M]- 233.03634858 149.4
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