CID 19888679

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.06075 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 138.6
[M+Na]+ 208.049968 146.0
[M-H]- 184.053474 140.5
[M+NH4]+ 203.094573 158.2
[M+K]+ 224.023908 142.2
[M+H-H2O]+ 168.058010 134.2
[M+HCOO]- 230.058951 155.8
[M+CH3COO]- 244.074601 181.6
[M+Na-2H]- 206.035416 141.9
[M]+ 185.06020142 137.5
[M]- 185.06129858 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

No literature data available for this compound.

Patent stripe

patents stripe