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]+ 260.128126 155.7
[M+Na]+ 282.110068 165.0
[M-H]- 258.113574 160.0
[M+NH4]+ 277.154673 173.5
[M+K]+ 298.084008 163.4
[M+H-H2O]+ 242.118110 149.7
[M+HCOO]- 304.119051 172.3
[M+CH3COO]- 318.134701 200.0
[M+Na-2H]- 280.095516 159.2
[M]+ 259.12030142 157.8
[M]- 259.12139858 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.