CID 57803194

790667-68-4

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=CC(=C2)N
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)20-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10,17H2,1-3H3
InChIKey
DBUWGUMWHBEZCV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminophenoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

292.17868 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.8
[M+Na]+ 315.16790 174.9
[M-H]- 291.17140 174.8
[M+NH4]+ 310.21250 184.2
[M+K]+ 331.14184 172.8
[M+H-H2O]+ 275.17594 162.6
[M+HCOO]- 337.17688 187.5
[M+CH3COO]- 351.19253 203.0
[M+Na-2H]- 313.15335 172.6
[M]+ 292.17813 168.2
[M]- 292.17923 168.2
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