CID 55269428

3-amino-1-(4-chlorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H12ClNO
SMILES
C1=CC(=CC=C1C(CCN)O)Cl
InChI
InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6,11H2
InChIKey
FTHYUAUIYICAPG-UHFFFAOYSA-N
Compound name
3-amino-1-(4-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

185.06075 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.6
[M+Na]+ 208.04997 149.8
[M+NH4]+ 203.09457 146.4
[M+K]+ 224.02391 143.3
[M-H]- 184.05347 139.9
[M+Na-2H]- 206.03542 144.1
[M]+ 185.06020 140.2
[M]- 185.06130 140.2
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