CID 10106900

1-[(tert-butoxy)carbonyl]-4,4-difluoropiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1C(=O)O)(F)F
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)6-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKey
BEYLYGCFFXJNQM-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

265.11258 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 155.8
[M+Na]+ 288.10180 162.3
[M-H]- 264.10530 153.9
[M+NH4]+ 283.14640 172.6
[M+K]+ 304.07574 161.6
[M+H-H2O]+ 248.10984 149.6
[M+HCOO]- 310.11078 168.2
[M+CH3COO]- 324.12643 192.5
[M+Na-2H]- 286.08725 157.3
[M]+ 265.11203 152.1
[M]- 265.11313 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

literature stripe

Patent stripe

patents stripe