CID 14576090

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

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC(C1=NC2=CC=CC=C2O1)O
InChI
InChI=1S/C9H9NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3
InChIKey
VWZPVYDIHHKSEE-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 130.2
[M+Na]+ 186.05254 140.3
[M-H]- 162.05604 133.6
[M+NH4]+ 181.09714 150.7
[M+K]+ 202.02648 139.1
[M+H-H2O]+ 146.06058 124.6
[M+HCOO]- 208.06152 152.6
[M+CH3COO]- 222.07717 174.5
[M+Na-2H]- 184.03799 138.5
[M]+ 163.06277 133.0
[M]- 163.06387 133.0
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