CID 44147870

94022-60-3

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1CCOC(O1)C2C(C3CCC2C3)C
InChI
InChI=1S/C13H22O2/c1-8-5-6-14-13(15-8)12-9(2)10-3-4-11(12)7-10/h8-13H,3-7H2,1-2H3
InChIKey
NZNMERMNWRADLK-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-methyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.5
[M+Na]+ 233.151208 155.0
[M-H]- 209.154714 156.1
[M+NH4]+ 228.195813 171.0
[M+K]+ 249.125148 154.7
[M+H-H2O]+ 193.159250 145.6
[M+HCOO]- 255.160191 165.2
[M+CH3COO]- 269.175841 161.9
[M+Na-2H]- 231.136656 150.5
[M]+ 210.16144142 147.2
[M]- 210.16253858 147.2
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.