CID 152661

2-amino-1-(4-chlorophenyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC(C(C1=CC=C(C=C1)Cl)O)N
InChI
InChI=1S/C9H12ClNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
InChIKey
LTOCGMHUCZEAMG-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

198
Patents

185.06075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 138.6
[M+Na]+ 208.04997 146.0
[M-H]- 184.05347 140.5
[M+NH4]+ 203.09457 158.2
[M+K]+ 224.02391 142.2
[M+H-H2O]+ 168.05801 134.2
[M+HCOO]- 230.05895 155.8
[M+CH3COO]- 244.07460 181.6
[M+Na-2H]- 206.03542 141.9
[M]+ 185.06020 137.5
[M]- 185.06130 137.5
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