CID 12279142

57148-90-0

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC=C2C(=C1)C(=NO2)CCO
InChI
InChI=1S/C9H9NO2/c11-6-5-8-7-3-1-2-4-9(7)12-10-8/h1-4,11H,5-6H2
InChIKey
CYKKOJQAYUCNGO-UHFFFAOYSA-N
Compound name
2-(1,2-benzoxazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

163.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.1
[M+Na]+ 186.05254 144.1
[M+NH4]+ 181.09714 139.0
[M+K]+ 202.02648 139.6
[M-H]- 162.05604 132.9
[M+Na-2H]- 184.03799 136.7
[M]+ 163.06277 132.9
[M]- 163.06387 132.9
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