CID 3008093

Oprea1_427201

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCCC1C(=O)N(C2=C(O1)C=CC(=C2)OC)O
InChI
InChI=1S/C12H15NO4/c1-3-4-11-12(14)13(15)9-7-8(16-2)5-6-10(9)17-11/h5-7,11,15H,3-4H2,1-2H3
InChIKey
DMHSQXOTVSKVIG-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methoxy-2-propyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.9
[M+Na]+ 260.08933 159.8
[M-H]- 236.09283 153.7
[M+NH4]+ 255.13393 167.0
[M+K]+ 276.06327 158.4
[M+H-H2O]+ 220.09737 144.1
[M+HCOO]- 282.09831 168.7
[M+CH3COO]- 296.11396 190.9
[M+Na-2H]- 258.07478 156.4
[M]+ 237.09956 153.8
[M]- 237.10066 153.8
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.