CID 18713075

8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC2(CC1)OCCO2)O
InChI
InChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3
InChIKey
AAYZDXMYYIJKLR-UHFFFAOYSA-N
Compound name
8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

172.10994 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 135.7
[M+Na]+ 195.09916 141.5
[M-H]- 171.10266 140.8
[M+NH4]+ 190.14376 158.4
[M+K]+ 211.07310 142.7
[M+H-H2O]+ 155.10720 131.9
[M+HCOO]- 217.10814 152.5
[M+CH3COO]- 231.12379 172.0
[M+Na-2H]- 193.08461 143.3
[M]+ 172.10939 131.9
[M]- 172.11049 131.9
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