CID 94886

2-hexyl-4,5-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCC1OC(C(O1)C)C
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3
InChIKey
MTNLKAOONWIMIT-UHFFFAOYSA-N
Compound name
2-hexyl-4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

45
Patents

186.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 145.5
[M+Na]+ 209.15121 151.8
[M-H]- 185.15471 149.7
[M+NH4]+ 204.19581 165.0
[M+K]+ 225.12515 152.8
[M+H-H2O]+ 169.15925 140.6
[M+HCOO]- 231.16019 165.6
[M+CH3COO]- 245.17584 184.6
[M+Na-2H]- 207.13666 149.0
[M]+ 186.16144 148.7
[M]- 186.16254 148.7
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

patents stripe