CID 53423192

Hftwttjhfswsiz-uhfffaoysa-n

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1COC(O1)CCC=C(C)CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15-16-11-14(4)17-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3
InChIKey
HFTWTTJHFSWSIZ-UHFFFAOYSA-N
Compound name
2-(4,8-dimethylnona-3,7-dienyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 164.0
[M+Na]+ 261.182498 168.0
[M-H]- 237.186004 167.5
[M+NH4]+ 256.227103 180.9
[M+K]+ 277.156438 167.6
[M+H-H2O]+ 221.190540 158.5
[M+HCOO]- 283.191481 181.3
[M+CH3COO]- 297.207131 194.2
[M+Na-2H]- 259.167946 163.4
[M]+ 238.19273142 165.5
[M]- 238.19382858 165.5
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.