CID 137704220

{2,8-dioxaspiro[4.5]decan-3-yl}methanol

Structural Information

Molecular Formula
C9H16O3
SMILES
C1COCCC12CC(OC2)CO
InChI
InChI=1S/C9H16O3/c10-6-8-5-9(7-12-8)1-3-11-4-2-9/h8,10H,1-7H2
InChIKey
KQWUDUSVWMBMSZ-UHFFFAOYSA-N
Compound name
2,8-dioxaspiro[4.5]decan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 136.6
[M+Na]+ 195.09916 141.4
[M-H]- 171.10266 141.3
[M+NH4]+ 190.14376 157.3
[M+K]+ 211.07310 142.3
[M+H-H2O]+ 155.10720 132.0
[M+HCOO]- 217.10814 153.4
[M+CH3COO]- 231.12379 172.2
[M+Na-2H]- 193.08461 143.0
[M]+ 172.10939 132.3
[M]- 172.11049 132.3
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.