CID 78067

2-heptyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCCC1OCCO1
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3
InChIKey
LWJBQKKNODYJEI-UHFFFAOYSA-N
Compound name
2-heptyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

172.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.5
[M+Na]+ 195.13555 150.2
[M+NH4]+ 190.18015 148.7
[M+K]+ 211.10949 146.1
[M-H]- 171.13905 144.1
[M+Na-2H]- 193.12100 143.4
[M]+ 172.14578 142.7
[M]- 172.14688 142.7
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

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