CID 23505663

5-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CN1C2=C(C=CC(=C2)N)OC1=O
InChI
InChI=1S/C8H8N2O2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKey
JQPPHIWSRUYRAL-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 128.4
[M+Na]+ 187.047798 141.0
[M-H]- 163.051304 133.5
[M+NH4]+ 182.092403 149.7
[M+K]+ 203.021738 139.3
[M+H-H2O]+ 147.055840 122.8
[M+HCOO]- 209.056781 154.3
[M+CH3COO]- 223.072431 179.0
[M+Na-2H]- 185.033246 136.9
[M]+ 164.05803142 131.8
[M]- 164.05912858 131.8
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

patents stripe