CID 33587

26726-75-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

179.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 131.7
[M+Na]+ 202.04746 143.3
[M-H]- 178.05096 135.4
[M+NH4]+ 197.09206 151.9
[M+K]+ 218.02140 141.4
[M+H-H2O]+ 162.05550 126.1
[M+HCOO]- 224.05644 155.6
[M+CH3COO]- 238.07209 176.1
[M+Na-2H]- 200.03291 140.6
[M]+ 179.05769 136.3
[M]- 179.05879 136.3
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