CID 58566559

(2-methylbenzo[d]oxazol-7-yl)methanol

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=NC2=CC=CC(=C2O1)CO
InChI
InChI=1S/C9H9NO2/c1-6-10-8-4-2-3-7(5-11)9(8)12-6/h2-4,11H,5H2,1H3
InChIKey
BVKPCOPAVMDDPD-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-benzoxazol-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 129.8
[M+Na]+ 186.05254 144.2
[M+NH4]+ 181.09714 138.8
[M+K]+ 202.02648 140.0
[M-H]- 162.05604 132.8
[M+Na-2H]- 184.03799 136.2
[M]+ 163.06277 132.7
[M]- 163.06387 132.7
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