CID 145944983

2,2-dimethoxyspiro[3.3]heptan-6-ol

Structural Information

Molecular Formula
C9H16O3
SMILES
COC1(CC2(C1)CC(C2)O)OC
InChI
InChI=1S/C9H16O3/c1-11-9(12-2)5-8(6-9)3-7(10)4-8/h7,10H,3-6H2,1-2H3
InChIKey
JSPSUOFSOXMSGG-UHFFFAOYSA-N
Compound name
2,2-dimethoxyspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 130.5
[M+Na]+ 195.09916 135.5
[M-H]- 171.10266 135.3
[M+NH4]+ 190.14376 141.0
[M+K]+ 211.07310 140.2
[M+H-H2O]+ 155.10720 119.6
[M+HCOO]- 217.10814 148.0
[M+CH3COO]- 231.12379 189.5
[M+Na-2H]- 193.08461 137.0
[M]+ 172.10939 147.6
[M]- 172.11049 147.6
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.