CID 137698500

Tert-butyl n-{[4-(trifluoromethyl)piperidin-3-yl]methyl}carbamate

Structural Information

Molecular Formula
C12H21F3N2O2
SMILES
CC(C)(C)OC(=O)NCC1CNCCC1C(F)(F)F
InChI
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-7-8-6-16-5-4-9(8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKey
QYQCZITWJGCWFA-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16280 164.9
[M+Na]+ 305.14474 168.9
[M-H]- 281.14824 160.8
[M+NH4]+ 300.18934 178.6
[M+K]+ 321.11868 166.5
[M+H-H2O]+ 265.15278 156.3
[M+HCOO]- 327.15372 175.7
[M+CH3COO]- 341.16937 198.0
[M+Na-2H]- 303.13019 166.5
[M]+ 282.15497 156.5
[M]- 282.15607 156.5
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.