CID 560109

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

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCCC1OCC(O1)C
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3
InChIKey
PTJICCHLTNPHDB-UHFFFAOYSA-N
Compound name
2-heptyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

163
Patents

186.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 146.0
[M+Na]+ 209.15121 151.4
[M-H]- 185.15471 149.9
[M+NH4]+ 204.19581 165.2
[M+K]+ 225.12515 152.4
[M+H-H2O]+ 169.15925 140.8
[M+HCOO]- 231.16019 166.2
[M+CH3COO]- 245.17584 183.4
[M+Na-2H]- 207.13666 150.1
[M]+ 186.16144 148.9
[M]- 186.16254 148.9
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