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]+ 157.122316 134.5
[M+Na]+ 179.104258 141.1
[M-H]- 155.107764 139.3
[M+NH4]+ 174.148863 159.3
[M+K]+ 195.078198 140.5
[M+H-H2O]+ 139.112300 130.9
[M+HCOO]- 201.113241 154.2
[M+CH3COO]- 215.128891 171.2
[M+Na-2H]- 177.089706 138.0
[M]+ 156.11449142 130.7
[M]- 156.11558858 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