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]+ 180.06552 132.4
[M+Na]+ 202.04746 143.5
[M-H]- 178.05096 134.7
[M+NH4]+ 197.09206 151.8
[M+K]+ 218.02140 140.7
[M+H-H2O]+ 162.05550 127.0
[M+HCOO]- 224.05644 154.7
[M+CH3COO]- 238.07209 173.6
[M+Na-2H]- 200.03291 140.7
[M]+ 179.05769 135.1
[M]- 179.05879 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.