CID 13653298

5-amino-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C#CCN1C2=C(C=CC(=C2)N)OC1=O
InChI
InChI=1S/C10H8N2O2/c1-2-5-12-8-6-7(11)3-4-9(8)14-10(12)13/h1,3-4,6H,5,11H2
InChIKey
DAWRIEAJPFMERM-UHFFFAOYSA-N
Compound name
5-amino-3-prop-2-ynyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 139.4
[M+Na]+ 211.047798 153.1
[M-H]- 187.051304 141.5
[M+NH4]+ 206.092403 156.9
[M+K]+ 227.021738 148.4
[M+H-H2O]+ 171.055840 126.8
[M+HCOO]- 233.056781 158.2
[M+CH3COO]- 247.072431 152.0
[M+Na-2H]- 209.033246 145.0
[M]+ 188.05803142 136.6
[M]- 188.05912858 136.6
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

No patent data available for this compound.