CID 26856

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

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CC2=C(C=C1N)NC(=O)O2
InChI
InChI=1S/C7H6N2O2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,8H2,(H,9,10)
InChIKey
GJXXUHGUCBUXSL-UHFFFAOYSA-N
Compound name
5-amino-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

150.04292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 124.0
[M+Na]+ 173.032138 135.7
[M-H]- 149.035644 127.5
[M+NH4]+ 168.076743 144.8
[M+K]+ 189.006078 133.3
[M+H-H2O]+ 133.040180 118.5
[M+HCOO]- 195.041121 148.7
[M+CH3COO]- 209.056771 139.2
[M+Na-2H]- 171.017586 133.3
[M]+ 150.04237142 124.8
[M]- 150.04346858 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

literature stripe

Patent stripe

patents stripe