CID 21907137

Benzo[d]oxazol-2-ylmethanol

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CO
InChI
InChI=1S/C8H7NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2
InChIKey
MFAYHDNWECITJF-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

149.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 125.4
[M+Na]+ 172.03690 139.6
[M+NH4]+ 167.08150 134.5
[M+K]+ 188.01084 135.5
[M-H]- 148.04040 128.3
[M+Na-2H]- 170.02235 132.4
[M]+ 149.04713 128.3
[M]- 149.04823 128.3
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