CID 75176277

7-(2-hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CC(=C2C(=C1)NC(=O)O2)CCO
InChI
InChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)13-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)
InChIKey
BSPDFQNBUWGQRE-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 132.4
[M+Na]+ 202.047458 143.5
[M-H]- 178.050964 134.7
[M+NH4]+ 197.092063 151.8
[M+K]+ 218.021398 140.7
[M+H-H2O]+ 162.055500 127.0
[M+HCOO]- 224.056441 154.7
[M+CH3COO]- 238.072091 173.6
[M+Na-2H]- 200.032906 140.7
[M]+ 179.05769142 135.1
[M]- 179.05878858 135.1
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.