CID 165951868

Tert-butyl 8-amino-3,4-dihydrospiro[1,4-benzoxazine-2,1'-cyclopropane]-4-carboxylate

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)OC3=C(C=CC=C31)N
InChI
InChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-15(7-8-15)19-12-10(16)5-4-6-11(12)17/h4-6H,7-9,16H2,1-3H3
InChIKey
AJUNSVAKTLTIBU-UHFFFAOYSA-N
Compound name
tert-butyl 8-aminospiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 168.1
[M+Na]+ 299.136618 177.2
[M-H]- 275.140124 174.2
[M+NH4]+ 294.181223 180.1
[M+K]+ 315.110558 175.5
[M+H-H2O]+ 259.144660 161.6
[M+HCOO]- 321.145601 183.8
[M+CH3COO]- 335.161251 202.4
[M+Na-2H]- 297.122066 174.5
[M]+ 276.14685142 171.0
[M]- 276.14794858 171.0
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

No patent data available for this compound.