CID 13778215

2,7-dimethyl-1,6-dioxaspiro[4.6]undecane

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1CCCCC2(O1)CCC(O2)C
InChI
InChI=1S/C11H20O2/c1-9-5-3-4-7-11(12-9)8-6-10(2)13-11/h9-10H,3-8H2,1-2H3
InChIKey
KVPPDUFKHOTABV-UHFFFAOYSA-N
Compound name
2,10-dimethyl-1,11-dioxaspiro[4.6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

184.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 137.2
[M+Na]+ 207.13555 140.6
[M-H]- 183.13905 144.1
[M+NH4]+ 202.18015 156.7
[M+K]+ 223.10949 143.8
[M+H-H2O]+ 167.14359 132.7
[M+HCOO]- 229.14453 153.8
[M+CH3COO]- 243.16018 181.8
[M+Na-2H]- 205.12100 141.8
[M]+ 184.14578 131.0
[M]- 184.14688 131.0
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