CID 80462790

{4h,6h,7h-pyrano[3,4-d][1,2]oxazol-3-yl}methanol

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1COCC2=C1ON=C2CO
InChI
InChI=1S/C7H9NO3/c9-3-6-5-4-10-2-1-7(5)11-8-6/h9H,1-4H2
InChIKey
HSLPCSVNOFOFKW-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 127.7
[M+Na]+ 178.04746 135.9
[M-H]- 154.05096 130.7
[M+NH4]+ 173.09206 146.9
[M+K]+ 194.02140 136.6
[M+H-H2O]+ 138.05550 122.3
[M+HCOO]- 200.05644 146.7
[M+CH3COO]- 214.07209 170.8
[M+Na-2H]- 176.03291 136.1
[M]+ 155.05769 128.2
[M]- 155.05879 128.2
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

No patent data available for this compound.