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

13
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 133.0
[M+Na]+ 202.04746 143.7
[M-H]- 178.05096 135.4
[M+NH4]+ 197.09206 152.3
[M+K]+ 218.02140 141.5
[M+H-H2O]+ 162.05550 127.7
[M+HCOO]- 224.05644 154.2
[M+CH3COO]- 238.07209 174.5
[M+Na-2H]- 200.03291 140.1
[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

patents stripe