CID 108319846

[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]methanol

Structural Information

Molecular Formula
C12H16FNO2
SMILES
CC1COCCN1C2=C(C=CC=C2F)CO
InChI
InChI=1S/C12H16FNO2/c1-9-8-16-6-5-14(9)12-10(7-15)3-2-4-11(12)13/h2-4,9,15H,5-8H2,1H3
InChIKey
YMYVLVVFGJPYEG-UHFFFAOYSA-N
Compound name
[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.123776 150.1
[M+Na]+ 248.105718 157.0
[M-H]- 224.109224 153.2
[M+NH4]+ 243.150323 165.1
[M+K]+ 264.079658 154.8
[M+H-H2O]+ 208.113760 141.7
[M+HCOO]- 270.114701 166.5
[M+CH3COO]- 284.130351 187.3
[M+Na-2H]- 246.091166 153.8
[M]+ 225.11595142 146.4
[M]- 225.11704858 146.4
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

No patent data available for this compound.