CID 197262

116337-81-6

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)CO2)C
InChI
InChI=1S/C14H15NO3/c1-4-9(2)14(17)10-5-6-11-12(7-10)18-8-13(16)15(11)3/h5-7H,2,4,8H2,1,3H3
InChIKey
KALQVNGZTBLJJY-UHFFFAOYSA-N
Compound name
4-methyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.6
[M+Na]+ 268.09442 161.4
[M-H]- 244.09792 157.3
[M+NH4]+ 263.13902 169.6
[M+K]+ 284.06836 159.6
[M+H-H2O]+ 228.10246 146.7
[M+HCOO]- 290.10340 170.5
[M+CH3COO]- 304.11905 196.2
[M+Na-2H]- 266.07987 156.9
[M]+ 245.10465 154.5
[M]- 245.10575 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.