CID 25786

1,4-dihydro-2h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=CC=CC=C2NC(=O)O1
InChI
InChI=1S/C8H7NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H,9,10)
InChIKey
SYZIUAAQNFJPJY-UHFFFAOYSA-N
Compound name
1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

842
Patents

149.04768 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 126.2
[M+Na]+ 172.03690 134.3
[M-H]- 148.04040 128.6
[M+NH4]+ 167.08150 145.1
[M+K]+ 188.01084 132.7
[M+H-H2O]+ 132.04494 120.0
[M+HCOO]- 194.04588 145.1
[M+CH3COO]- 208.06153 139.6
[M+Na-2H]- 170.02235 136.0
[M]+ 149.04713 123.5
[M]- 149.04823 123.5
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

patents stripe