CID 86695049

Tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)CCO
InChI
InChI=1S/C12H21F2NO3/c1-11(2,3)18-10(17)15-6-4-9(5-7-16)12(13,14)8-15/h9,16H,4-8H2,1-3H3
InChIKey
PFTPEHUAFYFBHE-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

265.14896 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15624 160.0
[M+Na]+ 288.13818 166.1
[M-H]- 264.14168 157.8
[M+NH4]+ 283.18278 177.0
[M+K]+ 304.11212 164.6
[M+H-H2O]+ 248.14622 153.3
[M+HCOO]- 310.14716 172.6
[M+CH3COO]- 324.16281 193.3
[M+Na-2H]- 286.12363 161.7
[M]+ 265.14841 156.4
[M]- 265.14951 156.4
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