CID 12050749

392335-22-7

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-13-8-10-19(11-9-13)14-6-4-12(17)5-7-14/h4-7,13H,8-11,17H2,1-3H3,(H,18,20)
InChIKey
LWNOWFDLCFGFDH-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-aminophenyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

291.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 170.8
[M+Na]+ 314.18389 179.6
[M+NH4]+ 309.22849 177.1
[M+K]+ 330.15783 174.8
[M-H]- 290.18739 173.7
[M+Na-2H]- 312.16934 175.9
[M]+ 291.19412 172.5
[M]- 291.19522 172.5
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

patents stripe