CID 19982202

4-amino-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC(=C2C(=C1)OC(=O)N2)N
InChI
InChI=1S/C7H6N2O2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,8H2,(H,9,10)
InChIKey
VGLGTAGWVRMFQF-UHFFFAOYSA-N
Compound name
4-amino-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

150.04292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 124.0
[M+Na]+ 173.03214 135.7
[M-H]- 149.03564 127.5
[M+NH4]+ 168.07674 144.8
[M+K]+ 189.00608 133.3
[M+H-H2O]+ 133.04018 118.5
[M+HCOO]- 195.04112 148.7
[M+CH3COO]- 209.05677 139.2
[M+Na-2H]- 171.01759 133.3
[M]+ 150.04237 124.8
[M]- 150.04347 124.8
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