CID 90101462

1-benzyl-3,3-difluoropiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H15F2NO2
SMILES
C1CN(CC(C1C(=O)O)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C13H15F2NO2/c14-13(15)9-16(7-6-11(13)12(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,18)
InChIKey
OFAYEFASYBFVIA-UHFFFAOYSA-N
Compound name
1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.10709 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11437 155.9
[M+Na]+ 278.09631 162.3
[M-H]- 254.09981 156.8
[M+NH4]+ 273.14091 172.4
[M+K]+ 294.07025 158.6
[M+H-H2O]+ 238.10435 146.9
[M+HCOO]- 300.10529 170.9
[M+CH3COO]- 314.12094 191.4
[M+Na-2H]- 276.08176 158.3
[M]+ 255.10654 149.4
[M]- 255.10764 149.4
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