CID 12279142

2-(1,2-benzoxazol-3-yl)ethan-1-ol

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 129.4
[M+Na]+ 186.05254 139.9
[M-H]- 162.05604 132.7
[M+NH4]+ 181.09714 150.1
[M+K]+ 202.02648 138.2
[M+H-H2O]+ 146.06058 123.7
[M+HCOO]- 208.06152 152.9
[M+CH3COO]- 222.07717 144.2
[M+Na-2H]- 184.03799 139.0
[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