CID 41227

54903-17-2

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC(C1=CC2=C(C=C1)NC(=O)O2)O
InChI
InChI=1S/C9H9NO3/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-5,11H,1H3,(H,10,12)
InChIKey
QIVZJZRUAFFKPJ-UHFFFAOYSA-N
Compound name
6-(1-hydroxyethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 133.0
[M+Na]+ 202.047458 143.7
[M-H]- 178.050964 135.4
[M+NH4]+ 197.092063 152.3
[M+K]+ 218.021398 141.5
[M+H-H2O]+ 162.055500 127.7
[M+HCOO]- 224.056441 154.2
[M+CH3COO]- 238.072091 174.5
[M+Na-2H]- 200.032906 140.1
[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

patents stripe