CID 21876872

221532-96-3

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12,18H2,1-3H3
InChIKey
TYSWJDYRGCLWNZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-aminophenyl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

290.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.7
[M+Na]+ 313.18865 181.6
[M+NH4]+ 308.23325 178.4
[M+K]+ 329.16259 176.1
[M-H]- 289.19215 174.3
[M+Na-2H]- 311.17410 176.8
[M]+ 290.19888 173.6
[M]- 290.19998 173.6
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