CID 34719

2-methyl-1-oxaspiro(4.4)nonan-3-ol

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1C(CC2(O1)CCCC2)O
InChI
InChI=1S/C9H16O2/c1-7-8(10)6-9(11-7)4-2-3-5-9/h7-8,10H,2-6H2,1H3
InChIKey
CGDZNTSTDWNKEM-UHFFFAOYSA-N
Compound name
2-methyl-1-oxaspiro[4.4]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.5
[M+Na]+ 179.10426 141.1
[M-H]- 155.10776 139.3
[M+NH4]+ 174.14886 159.3
[M+K]+ 195.07820 140.5
[M+H-H2O]+ 139.11230 130.9
[M+HCOO]- 201.11324 154.2
[M+CH3COO]- 215.12889 171.2
[M+Na-2H]- 177.08971 138.0
[M]+ 156.11449 130.7
[M]- 156.11559 130.7
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