CID 108320499

1961586-87-7

Structural Information

Molecular Formula
C13H18FNO2
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=C(C=CC=C2F)CO
InChI
InChI=1S/C13H18FNO2/c1-9-6-15(7-10(2)17-9)13-11(8-16)4-3-5-12(13)14/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10+
InChIKey
HCNDAJUTFWRZJF-AOOOYVTPSA-N
Compound name
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13944 154.8
[M+Na]+ 262.12138 162.2
[M-H]- 238.12488 158.1
[M+NH4]+ 257.16598 169.5
[M+K]+ 278.09532 159.7
[M+H-H2O]+ 222.12942 146.4
[M+HCOO]- 284.13036 170.8
[M+CH3COO]- 298.14601 191.5
[M+Na-2H]- 260.10683 157.2
[M]+ 239.13161 151.9
[M]- 239.13271 151.9
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.