CID 11971393

2-(1-methyldecyl)-1,3-dioxolane

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCC(C)C1OCCO1
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-13(2)14-15-11-12-16-14/h13-14H,3-12H2,1-2H3
InChIKey
OXVIAYBRQYALJP-UHFFFAOYSA-N
Compound name
2-undecan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 161.7
[M+Na]+ 251.19814 164.7
[M-H]- 227.20164 164.7
[M+NH4]+ 246.24274 178.8
[M+K]+ 267.17208 165.3
[M+H-H2O]+ 211.20618 155.7
[M+HCOO]- 273.20712 179.9
[M+CH3COO]- 287.22277 192.1
[M+Na-2H]- 249.18359 163.5
[M]+ 228.20837 164.6
[M]- 228.20947 164.6
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.