CID 78024

(p-ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate

Structural Information

Molecular Formula
C10H16N2O
SMILES
C1=CC(=CC=C1CCNCCO)N
InChI
InChI=1S/C10H16N2O/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8,11H2
InChIKey
LHISABQPMWXWCC-UHFFFAOYSA-N
Compound name
2-[2-(4-aminophenyl)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15
Patents

180.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 139.7
[M+Na]+ 203.11549 145.4
[M-H]- 179.11899 141.3
[M+NH4]+ 198.16009 158.3
[M+K]+ 219.08943 142.4
[M+H-H2O]+ 163.12353 133.3
[M+HCOO]- 225.12447 164.0
[M+CH3COO]- 239.14012 184.1
[M+Na-2H]- 201.10094 145.7
[M]+ 180.12572 137.3
[M]- 180.12682 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe