CID 21943442

1-(3-chlorophenyl)-2-(methylamino)ethan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.06075 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 138.0
[M+Na]+ 208.04997 145.5
[M-H]- 184.05347 140.3
[M+NH4]+ 203.09457 157.9
[M+K]+ 224.02391 141.6
[M+H-H2O]+ 168.05801 133.3
[M+HCOO]- 230.05895 156.8
[M+CH3COO]- 244.07460 181.4
[M+Na-2H]- 206.03542 143.5
[M]+ 185.06020 138.4
[M]- 185.06130 138.4
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