CID 5238060

68208-25-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

patents stripe