CID 14729893

2-methyl-7-propyl-1,6-dioxaspiro[4.4]nonane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCC1CCC2(O1)CCC(O2)C
InChI
InChI=1S/C11H20O2/c1-3-4-10-6-8-11(13-10)7-5-9(2)12-11/h9-10H,3-8H2,1-2H3
InChIKey
PUPIVPWLXXWZOG-UHFFFAOYSA-N
Compound name
7-methyl-2-propyl-1,6-dioxaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

184.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.5
[M+Na]+ 207.13555 148.7
[M-H]- 183.13905 148.8
[M+NH4]+ 202.18015 165.5
[M+K]+ 223.10949 149.4
[M+H-H2O]+ 167.14359 138.7
[M+HCOO]- 229.14453 162.0
[M+CH3COO]- 243.16018 180.0
[M+Na-2H]- 205.12100 146.2
[M]+ 184.14578 141.7
[M]- 184.14688 141.7
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