CID 3077505

Brn 4353950

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)(C)C)C
InChI
InChI=1S/C15H17NO3/c1-9(2)13(17)10-6-7-11-12(8-10)19-15(3,4)14(18)16(11)5/h6-8H,1H2,2-5H3
InChIKey
XEXVQKSUSPBITC-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-7-(2-methylprop-2-enoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.6
[M+Na]+ 282.11007 171.3
[M+NH4]+ 277.15467 166.8
[M+K]+ 298.08401 164.3
[M-H]- 258.11357 160.7
[M+Na-2H]- 280.09552 163.0
[M]+ 259.12030 161.1
[M]- 259.12140 161.1
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.