CID 49759504

1159982-64-5

Structural Information

Molecular Formula
C12H21F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C(F)(F)F)N
InChI
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-4-8(5-7-17)9(16)12(13,14)15/h8-9H,4-7,16H2,1-3H3
InChIKey
USFSKVYSEAUBSL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

282.15552 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16280 164.3
[M+Na]+ 305.14474 168.5
[M-H]- 281.14824 161.2
[M+NH4]+ 300.18934 178.3
[M+K]+ 321.11868 167.1
[M+H-H2O]+ 265.15278 155.7
[M+HCOO]- 327.15372 175.0
[M+CH3COO]- 341.16937 200.8
[M+Na-2H]- 303.13019 164.2
[M]+ 282.15497 156.1
[M]- 282.15607 156.1
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