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
3
Annotation Hits

0
References

17
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 152.9
[M+Na]+ 261.182498 159.0
[M-H]- 237.186004 160.6
[M+NH4]+ 256.227103 174.0
[M+K]+ 277.156438 160.3
[M+H-H2O]+ 221.190540 147.8
[M+HCOO]- 283.191481 168.4
[M+CH3COO]- 297.207131 192.5
[M+Na-2H]- 259.167946 159.7
[M]+ 238.19273142 151.4
[M]- 238.19382858 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