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 158.1
[M+Na]+ 273.12096 164.8
[M-H]- 249.12446 161.2
[M+NH4]+ 268.16556 173.5
[M+K]+ 289.09490 164.0
[M+H-H2O]+ 233.12900 151.2
[M+HCOO]- 295.12994 174.7
[M+CH3COO]- 309.14559 195.5
[M+Na-2H]- 271.10641 163.9
[M]+ 250.13119 157.8
[M]- 250.13229 157.8
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