CID 590690

2-ethyl-4-hydroxy-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCC1C(=O)N(C2=CC=CC=C2O1)O
InChI
InChI=1S/C10H11NO3/c1-2-8-10(12)11(13)7-5-3-4-6-9(7)14-8/h3-6,8,13H,2H2,1H3
InChIKey
VVTRVUOMIPLROC-UHFFFAOYSA-N
Compound name
2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

193.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.7
[M+Na]+ 216.06312 147.7
[M-H]- 192.06662 141.5
[M+NH4]+ 211.10772 156.4
[M+K]+ 232.03706 146.2
[M+H-H2O]+ 176.07116 132.4
[M+HCOO]- 238.07210 157.0
[M+CH3COO]- 252.08775 181.3
[M+Na-2H]- 214.04857 146.0
[M]+ 193.07335 139.0
[M]- 193.07445 139.0
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

patents stripe