CID 129320029

Benzyl 3,3-difluoropiperidin-4-ylcarbamate

Structural Information

Molecular Formula
C13H16F2N2O2
SMILES
C1CNCC(C1NC(=O)OCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C13H16F2N2O2/c14-13(15)9-16-7-6-11(13)17-12(18)19-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)
InChIKey
RRICLCGYDVONBZ-UHFFFAOYSA-N
Compound name
benzyl N-(3,3-difluoropiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11798 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12526 159.9
[M+Na]+ 293.10720 164.6
[M-H]- 269.11070 160.3
[M+NH4]+ 288.15180 175.2
[M+K]+ 309.08114 160.8
[M+H-H2O]+ 253.11524 150.3
[M+HCOO]- 315.11618 176.0
[M+CH3COO]- 329.13183 193.9
[M+Na-2H]- 291.09265 163.4
[M]+ 270.11743 152.1
[M]- 270.11853 152.1
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.