CID 49759209

184042-83-9

Structural Information

Molecular Formula
C12H20F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C(F)(F)F)O
InChI
InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3
InChIKey
HARLHGMSRKJSSA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

283.13953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14681 163.0
[M+Na]+ 306.12875 167.6
[M-H]- 282.13225 159.1
[M+NH4]+ 301.17335 176.9
[M+K]+ 322.10269 166.3
[M+H-H2O]+ 266.13679 154.9
[M+HCOO]- 328.13773 172.0
[M+CH3COO]- 342.15338 196.0
[M+Na-2H]- 304.11420 163.4
[M]+ 283.13898 156.2
[M]- 283.14008 156.2
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