CID 12073583

5,8-dioxaspiro[3.4]octane-2-methanol

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COC2(O1)CC(C2)CO
InChI
InChI=1S/C7H12O3/c8-5-6-3-7(4-6)9-1-2-10-7/h6,8H,1-5H2
InChIKey
LJVOOONKTBAYNA-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.4]octan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

144.07864 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 119.2
[M+Na]+ 167.06786 124.5
[M-H]- 143.07136 124.8
[M+NH4]+ 162.11246 134.9
[M+K]+ 183.04180 128.9
[M+H-H2O]+ 127.07590 111.4
[M+HCOO]- 189.07684 137.9
[M+CH3COO]- 203.09249 171.5
[M+Na-2H]- 165.05331 127.7
[M]+ 144.07809 126.8
[M]- 144.07919 126.8
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