CID 10585820

179950-70-0

Structural Information

Molecular Formula
C12H13NO4
SMILES
CC1(C(=O)NC2=C(O1)C=C(C=C2)C(=O)OC)C
InChI
InChI=1S/C12H13NO4/c1-12(2)11(15)13-8-5-4-7(10(14)16-3)6-9(8)17-12/h4-6H,1-3H3,(H,13,15)
InChIKey
GESDBCNLPUFJMW-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

235.08446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 149.0
[M+Na]+ 258.07368 158.1
[M-H]- 234.07718 151.9
[M+NH4]+ 253.11828 166.9
[M+K]+ 274.04762 156.9
[M+H-H2O]+ 218.08172 143.0
[M+HCOO]- 280.08266 166.0
[M+CH3COO]- 294.09831 188.6
[M+Na-2H]- 256.05913 155.4
[M]+ 235.08391 150.5
[M]- 235.08501 150.5
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