CID 432639

6-hydroxyhexahydro-2h-3,5-methanocyclopenta[b]furan-2-one

Structural Information

Molecular Formula
C8H10O3
SMILES
C1C2CC3C1C(C2O)OC3=O
InChI
InChI=1S/C8H10O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7,9H,1-2H2
InChIKey
SCDJKGVPVLZLED-UHFFFAOYSA-N
Compound name
2-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

154.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 130.4
[M+Na]+ 177.052208 139.3
[M-H]- 153.055714 133.5
[M+NH4]+ 172.096813 157.8
[M+K]+ 193.026148 138.3
[M+H-H2O]+ 137.060250 128.8
[M+HCOO]- 199.061191 149.5
[M+CH3COO]- 213.076841 144.8
[M+Na-2H]- 175.037656 133.8
[M]+ 154.06244142 131.5
[M]- 154.06353858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe