CID 14752691

3-hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula
C11H20O3
SMILES
CC1CCCC2(O1)CCC(C(O2)C)O
InChI
InChI=1S/C11H20O3/c1-8-4-3-6-11(13-8)7-5-10(12)9(2)14-11/h8-10,12H,3-7H2,1-2H3
InChIKey
FHLZKMYUVAGRFB-UHFFFAOYSA-N
Compound name
2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

200.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 145.1
[M+Na]+ 223.13047 150.1
[M-H]- 199.13397 150.1
[M+NH4]+ 218.17507 163.4
[M+K]+ 239.10441 150.9
[M+H-H2O]+ 183.13851 139.8
[M+HCOO]- 245.13945 159.1
[M+CH3COO]- 259.15510 181.1
[M+Na-2H]- 221.11592 150.6
[M]+ 200.14070 140.2
[M]- 200.14180 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe