CID 165951868

En300-1129137

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]+ 277.15468 168.1
[M+Na]+ 299.13662 177.2
[M-H]- 275.14012 174.2
[M+NH4]+ 294.18122 180.1
[M+K]+ 315.11056 175.5
[M+H-H2O]+ 259.14466 161.6
[M+HCOO]- 321.14560 183.8
[M+CH3COO]- 335.16125 202.4
[M+Na-2H]- 297.12207 174.5
[M]+ 276.14685 171.0
[M]- 276.14795 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.