CID 58315596

Tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-9-19-13(10-17)11-4-6-12(16)7-5-11/h4-7,13H,8-10,16H2,1-3H3
InChIKey
RYLFTAZSKDUPAA-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

278.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.2
[M+Na]+ 301.15228 171.9
[M-H]- 277.15578 172.1
[M+NH4]+ 296.19688 180.0
[M+K]+ 317.12622 170.9
[M+H-H2O]+ 261.16032 159.2
[M+HCOO]- 323.16126 183.4
[M+CH3COO]- 337.17691 200.1
[M+Na-2H]- 299.13773 170.2
[M]+ 278.16251 164.8
[M]- 278.16361 164.8
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