CID 132165004

2-(3,3-dimethyl-1-cyclohexen-1-yl)-2,5,5-trimethyl-1,3-dioxane

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1(CCCC(=C1)C2(OCC(CO2)(C)C)C)C
InChI
InChI=1S/C15H26O2/c1-13(2)8-6-7-12(9-13)15(5)16-10-14(3,4)11-17-15/h9H,6-8,10-11H2,1-5H3
InChIKey
BCDNXQILXGVEPG-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclohexen-1-yl)-2,5,5-trimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 152.9
[M+Na]+ 261.18250 159.0
[M-H]- 237.18600 160.6
[M+NH4]+ 256.22710 174.0
[M+K]+ 277.15644 160.3
[M+H-H2O]+ 221.19054 147.8
[M+HCOO]- 283.19148 168.4
[M+CH3COO]- 297.20713 192.5
[M+Na-2H]- 259.16795 159.7
[M]+ 238.19273 151.4
[M]- 238.19383 151.4
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