CID 6486006

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

152
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 128.4
[M+Na]+ 187.04780 141.0
[M-H]- 163.05130 133.5
[M+NH4]+ 182.09240 149.7
[M+K]+ 203.02174 139.3
[M+H-H2O]+ 147.05584 122.8
[M+HCOO]- 209.05678 154.3
[M+CH3COO]- 223.07243 179.0
[M+Na-2H]- 185.03325 136.9
[M]+ 164.05803 131.8
[M]- 164.05913 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

literature stripe

Patent stripe

patents stripe