CID 95397

4-methyl-2-nonyl-1,3-dioxolane

Structural Information

Molecular Formula
C13H26O2
SMILES
CCCCCCCCCC1OCC(O1)C
InChI
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3
InChIKey
SJLDHKPBFAHHSI-UHFFFAOYSA-N
Compound name
4-methyl-2-nonyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

214.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.200556 155.5
[M+Na]+ 237.182498 160.1
[M-H]- 213.186004 158.9
[M+NH4]+ 232.227103 173.5
[M+K]+ 253.156438 160.5
[M+H-H2O]+ 197.190540 149.9
[M+HCOO]- 259.191481 175.0
[M+CH3COO]- 273.207131 189.5
[M+Na-2H]- 235.167946 158.5
[M]+ 214.19273142 159.1
[M]- 214.19382858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe