CID 129284596

Tert-butyl 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C(F)F)O
InChI
InChI=1S/C12H21F2NO3/c1-12(2,3)18-11(17)15-6-4-8(5-7-15)9(16)10(13)14/h8-10,16H,4-7H2,1-3H3
InChIKey
IUUKUNKQVBDSBP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

265.14896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15624 160.7
[M+Na]+ 288.13818 164.4
[M-H]- 264.14168 157.9
[M+NH4]+ 283.18278 175.1
[M+K]+ 304.11212 163.6
[M+H-H2O]+ 248.14622 152.9
[M+HCOO]- 310.14716 171.3
[M+CH3COO]- 324.16281 194.3
[M+Na-2H]- 286.12363 159.3
[M]+ 265.14841 155.1
[M]- 265.14951 155.1
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

patents stripe