CID 84670331

2-amino-1-(2-chloro-6-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H12ClNO2
SMILES
COC1=C(C(=CC=C1)Cl)C(CN)O
InChI
InChI=1S/C9H12ClNO2/c1-13-8-4-2-3-6(10)9(8)7(12)5-11/h2-4,7,12H,5,11H2,1H3
InChIKey
AJWKBGZVJDAEFO-UHFFFAOYSA-N
Compound name
2-amino-1-(2-chloro-6-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05565 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06293 141.0
[M+Na]+ 224.04487 149.4
[M-H]- 200.04837 143.2
[M+NH4]+ 219.08947 160.2
[M+K]+ 240.01881 145.8
[M+H-H2O]+ 184.05291 136.4
[M+HCOO]- 246.05385 159.4
[M+CH3COO]- 260.06950 184.0
[M+Na-2H]- 222.03032 144.8
[M]+ 201.05510 142.3
[M]- 201.05620 142.3
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

No patent data available for this compound.