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

33
Patents

165.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 127.7
[M+Na]+ 188.03181 138.2
[M-H]- 164.03531 134.3
[M+NH4]+ 183.07641 147.3
[M+K]+ 204.00575 138.7
[M+H-H2O]+ 148.03985 122.4
[M+HCOO]- 210.04079 153.0
[M+CH3COO]- 224.05644 143.4
[M+Na-2H]- 186.01726 135.4
[M]+ 165.04204 132.3
[M]- 165.04314 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