CID 52988792

1-(4-chlorophenyl)-2-[(2-hydroxyethyl)amino]ethan-1-ol

Structural Information

Molecular Formula
C10H14ClNO2
SMILES
C1=CC(=CC=C1C(CNCCO)O)Cl
InChI
InChI=1S/C10H14ClNO2/c11-9-3-1-8(2-4-9)10(14)7-12-5-6-13/h1-4,10,12-14H,5-7H2
InChIKey
DRPIUSUTOSZVTL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.0713 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07858 145.6
[M+Na]+ 238.06052 152.2
[M-H]- 214.06402 146.3
[M+NH4]+ 233.10512 163.5
[M+K]+ 254.03446 147.7
[M+H-H2O]+ 198.06856 140.8
[M+HCOO]- 260.06950 162.8
[M+CH3COO]- 274.08515 183.9
[M+Na-2H]- 236.04597 150.1
[M]+ 215.07075 146.0
[M]- 215.07185 146.0
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