CID 3751601

2-amino-1-(3-chlorophenyl)ethanol

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C1=CC(=CC(=C1)Cl)C(CN)O
InChI
InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey
STJIXOUDTUPEEL-UHFFFAOYSA-N
Compound name
2-amino-1-(3-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

299
Patents

171.04509 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.0
[M+Na]+ 194.03431 145.5
[M+NH4]+ 189.07891 142.0
[M+K]+ 210.00825 139.2
[M-H]- 170.03781 135.4
[M+Na-2H]- 192.01976 139.8
[M]+ 171.04454 135.6
[M]- 171.04564 135.6
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