CID 131402434

{2-oxaspiro[4.4]nonan-3-yl}methanol

Structural Information

Molecular Formula
C9H16O2
SMILES
C1CCC2(C1)CC(OC2)CO
InChI
InChI=1S/C9H16O2/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8,10H,1-7H2
InChIKey
XDXPWCOLRNYNOS-UHFFFAOYSA-N
Compound name
2-oxaspiro[4.4]nonan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.3
[M+Na]+ 179.104258 141.0
[M-H]- 155.107764 139.7
[M+NH4]+ 174.148863 159.8
[M+K]+ 195.078198 140.4
[M+H-H2O]+ 139.112300 131.3
[M+HCOO]- 201.113241 155.0
[M+CH3COO]- 215.128891 170.1
[M+Na-2H]- 177.089706 139.3
[M]+ 156.11449142 131.0
[M]- 156.11558858 131.0
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