CID 60209169

1,2-benzoxazol-5-ylmethanol

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC2=C(C=C1CO)C=NO2
InChI
InChI=1S/C8H7NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h1-4,10H,5H2
InChIKey
WPONVXNCBOROQC-UHFFFAOYSA-N
Compound name
1,2-benzoxazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 124.6
[M+Na]+ 172.036898 135.6
[M-H]- 148.040404 128.1
[M+NH4]+ 167.081503 145.8
[M+K]+ 188.010838 134.1
[M+H-H2O]+ 132.044940 119.1
[M+HCOO]- 194.045881 148.5
[M+CH3COO]- 208.061531 139.9
[M+Na-2H]- 170.022346 134.7
[M]+ 149.04713142 127.8
[M]- 149.04822858 127.8
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