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

183
Patents

278.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 167.2
[M+Na]+ 301.152278 171.9
[M-H]- 277.155784 172.1
[M+NH4]+ 296.196883 180.0
[M+K]+ 317.126218 170.9
[M+H-H2O]+ 261.160320 159.2
[M+HCOO]- 323.161261 183.4
[M+CH3COO]- 337.176911 200.1
[M+Na-2H]- 299.137726 170.2
[M]+ 278.16251142 164.8
[M]- 278.16360858 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