CID 154869711

872999-29-6

Structural Information

Molecular Formula
C17H23F3N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)22-8-6-11(7-9-22)13-5-4-12(10-14(13)21)17(18,19)20/h4-5,10-11H,6-9,21H2,1-3H3
InChIKey
ZQZOXRNNWVDDSE-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-amino-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.17117 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.178446 181.1
[M+Na]+ 367.160388 186.5
[M-H]- 343.163894 181.5
[M+NH4]+ 362.204993 192.8
[M+K]+ 383.134328 182.8
[M+H-H2O]+ 327.168430 170.9
[M+HCOO]- 389.169371 192.5
[M+CH3COO]- 403.185021 213.1
[M+Na-2H]- 365.145836 180.8
[M]+ 344.17062142 173.7
[M]- 344.17171858 173.7
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.