CID 79913492

1,9-dioxaspiro[5.5]undecan-4-ylmethanol

Structural Information

Molecular Formula
C10H18O3
SMILES
C1COC2(CCOCC2)CC1CO
InChI
InChI=1S/C10H18O3/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10/h9,11H,1-8H2
InChIKey
FMIITHDTPFFAGS-UHFFFAOYSA-N
Compound name
1,9-dioxaspiro[5.5]undecan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 141.2
[M+Na]+ 209.11482 144.7
[M-H]- 185.11832 145.5
[M+NH4]+ 204.15942 159.4
[M+K]+ 225.08876 145.7
[M+H-H2O]+ 169.12286 135.5
[M+HCOO]- 231.12380 155.5
[M+CH3COO]- 245.13945 175.7
[M+Na-2H]- 207.10027 148.4
[M]+ 186.12505 135.1
[M]- 186.12615 135.1
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

No patent data available for this compound.