CID 4711790

2-{[(3-chlorophenyl)methyl]amino}ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12ClNO
SMILES
C1=CC(=CC(=C1)Cl)CNCCO
InChI
InChI=1S/C9H12ClNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
InChIKey
IFPPTFSQAJZOCG-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 137.1
[M+Na]+ 208.04997 150.0
[M+NH4]+ 203.09457 146.2
[M+K]+ 224.02391 142.5
[M-H]- 184.05347 139.8
[M+Na-2H]- 206.03542 144.5
[M]+ 185.06020 139.9
[M]- 185.06130 139.9
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