CID 122163409

1909294-85-4

Structural Information

Molecular Formula
C12H21F3N2O2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCCN[C@@H]1C(F)(F)F
InChI
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-7-8-5-4-6-16-9(8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)/t8-,9-/m0/s1
InChIKey
UPVMSIXKSONTNL-IUCAKERBSA-N
Compound name
tert-butyl N-[[(2S,3S)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15552 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16280 167.1
[M+Na]+ 305.14474 170.9
[M+NH4]+ 300.18934 170.1
[M+K]+ 321.11868 168.3
[M-H]- 281.14824 161.3
[M+Na-2H]- 303.13019 166.7
[M]+ 282.15497 165.3
[M]- 282.15607 165.3
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.