CID 71439597

676528-03-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 172.4
[M+Na]+ 313.18865 176.2
[M-H]- 289.19215 176.3
[M+NH4]+ 308.23325 186.1
[M+K]+ 329.16259 173.3
[M+H-H2O]+ 273.19669 164.3
[M+HCOO]- 335.19763 188.6
[M+CH3COO]- 349.21328 203.8
[M+Na-2H]- 311.17410 173.6
[M]+ 290.19888 168.7
[M]- 290.19998 168.7
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

patents stripe