CID 68290143

(1-benzyl-4,4-difluoropiperidin-3-yl)methanol

Structural Information

Molecular Formula
C13H17F2NO
SMILES
C1CN(CC(C1(F)F)CO)CC2=CC=CC=C2
InChI
InChI=1S/C13H17F2NO/c14-13(15)6-7-16(9-12(13)10-17)8-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKey
DMXXITLTOBWYSU-UHFFFAOYSA-N
Compound name
(1-benzyl-4,4-difluoropiperidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

241.12782 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13510 153.9
[M+Na]+ 264.11704 160.4
[M-H]- 240.12054 154.7
[M+NH4]+ 259.16164 171.2
[M+K]+ 280.09098 156.2
[M+H-H2O]+ 224.12508 144.8
[M+HCOO]- 286.12602 169.6
[M+CH3COO]- 300.14167 189.3
[M+Na-2H]- 262.10249 157.4
[M]+ 241.12727 147.2
[M]- 241.12837 147.2
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