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
1
Annotation Hits

0
References

4
Patents

233.0358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04308 145.9
[M+Na]+ 256.02502 153.6
[M-H]- 232.02852 147.9
[M+NH4]+ 251.06962 162.8
[M+K]+ 271.99896 151.1
[M+H-H2O]+ 216.03306 139.8
[M+HCOO]- 278.03400 164.2
[M+CH3COO]- 292.04965 184.2
[M+Na-2H]- 254.01047 150.7
[M]+ 233.03525 149.4
[M]- 233.03635 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