CID 3076566

2-(2-(n,n-dimethylamino)ethoxy)-1-(3-fluorophenyl)ethanol hydrochloride

Structural Information

Molecular Formula
C12H18FNO2
SMILES
CN(C)CCOCC(C1=CC(=CC=C1)F)O
InChI
InChI=1S/C12H18FNO2/c1-14(2)6-7-16-9-12(15)10-4-3-5-11(13)8-10/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKey
FFDMDJNGOUIUQP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(3-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

227.13216 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13944 151.6
[M+Na]+ 250.12138 157.2
[M-H]- 226.12488 153.6
[M+NH4]+ 245.16598 169.4
[M+K]+ 266.09532 156.1
[M+H-H2O]+ 210.12942 144.0
[M+HCOO]- 272.13036 173.6
[M+CH3COO]- 286.14601 194.8
[M+Na-2H]- 248.10683 154.6
[M]+ 227.13161 152.7
[M]- 227.13271 152.7
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