CID 67549752

1171126-84-3

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC2=C1C=CC(=C2)N
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-6-7-17-11-8-9(14)4-5-10(11)15/h4-5,8H,6-7,14H2,1-3H3
InChIKey
IYDHHHUHMJNTKF-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 156.9
[M+Na]+ 273.12096 167.5
[M+NH4]+ 268.16556 163.8
[M+K]+ 289.09490 163.5
[M-H]- 249.12446 159.1
[M+Na-2H]- 271.10641 160.3
[M]+ 250.13119 158.9
[M]- 250.13229 158.9
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