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 155.7
[M+Na]+ 282.11007 165.0
[M-H]- 258.11357 160.0
[M+NH4]+ 277.15467 173.5
[M+K]+ 298.08401 163.4
[M+H-H2O]+ 242.11811 149.7
[M+HCOO]- 304.11905 172.3
[M+CH3COO]- 318.13470 200.0
[M+Na-2H]- 280.09552 159.2
[M]+ 259.12030 157.8
[M]- 259.12140 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

No patent data available for this compound.