CID 131409541

{2-oxaspiro[4.5]decan-3-yl}methanol

Structural Information

Molecular Formula
C10H18O2
SMILES
C1CCC2(CC1)CC(OC2)CO
InChI
InChI=1S/C10H18O2/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9,11H,1-8H2
InChIKey
QZUMAYPDPJRKMI-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.5]decan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.9
[M+Na]+ 193.11990 143.2
[M-H]- 169.12340 142.8
[M+NH4]+ 188.16450 161.0
[M+K]+ 209.09384 142.5
[M+H-H2O]+ 153.12794 134.0
[M+HCOO]- 215.12888 156.1
[M+CH3COO]- 229.14453 173.0
[M+Na-2H]- 191.10535 143.7
[M]+ 170.13013 132.8
[M]- 170.13123 132.8
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

No patent data available for this compound.