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

10
Patents

185.06075 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 138.0
[M+Na]+ 208.049968 145.5
[M-H]- 184.053474 140.3
[M+NH4]+ 203.094573 157.9
[M+K]+ 224.023908 141.6
[M+H-H2O]+ 168.058010 133.3
[M+HCOO]- 230.058951 156.8
[M+CH3COO]- 244.074601 181.4
[M+Na-2H]- 206.035416 143.5
[M]+ 185.06020142 138.4
[M]- 185.06129858 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