CID 155823306

2169090-39-3

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CC2(C1)COCC(O2)CO
InChI
InChI=1S/C8H14O3/c9-4-7-5-10-6-8(11-7)2-1-3-8/h7,9H,1-6H2
InChIKey
HIBCDLJGRJXEIV-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.5]nonan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 124.3
[M+Na]+ 181.08352 128.5
[M-H]- 157.08702 129.4
[M+NH4]+ 176.12812 137.6
[M+K]+ 197.05746 133.2
[M+H-H2O]+ 141.09156 115.1
[M+HCOO]- 203.09250 140.7
[M+CH3COO]- 217.10815 174.8
[M+Na-2H]- 179.06897 133.4
[M]+ 158.09375 130.3
[M]- 158.09485 130.3
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

No patent data available for this compound.