CID 7164591

[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=COC(=C1)C2=CC(=NO2)CO
InChI
InChI=1S/C8H7NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-4,10H,5H2
InChIKey
NBBDGNIUCJFJPO-UHFFFAOYSA-N
Compound name
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

165.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 127.7
[M+Na]+ 188.031808 138.2
[M-H]- 164.035314 134.3
[M+NH4]+ 183.076413 147.3
[M+K]+ 204.005748 138.7
[M+H-H2O]+ 148.039850 122.4
[M+HCOO]- 210.040791 153.0
[M+CH3COO]- 224.056441 143.4
[M+Na-2H]- 186.017256 135.4
[M]+ 165.04204142 132.3
[M]- 165.04313858 132.3
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