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

74
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 171.2
[M+Na]+ 314.18389 174.6
[M-H]- 290.18739 175.2
[M+NH4]+ 309.22849 184.5
[M+K]+ 330.15783 171.9
[M+H-H2O]+ 274.19193 162.9
[M+HCOO]- 336.19287 188.8
[M+CH3COO]- 350.20852 206.0
[M+Na-2H]- 312.16934 173.4
[M]+ 291.19412 166.5
[M]- 291.19522 166.5
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