CID 77280

2-methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(=CCCC1(OCCO1)C)C
InChI
InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3)11-7-8-12-10/h5H,4,6-8H2,1-3H3
InChIKey
ZUQJHJGNHCDZTQ-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 139.4
[M+Na]+ 193.119898 145.3
[M-H]- 169.123404 143.6
[M+NH4]+ 188.164503 160.9
[M+K]+ 209.093838 146.7
[M+H-H2O]+ 153.127940 135.3
[M+HCOO]- 215.128881 159.2
[M+CH3COO]- 229.144531 178.2
[M+Na-2H]- 191.105346 144.8
[M]+ 170.13013142 140.4
[M]- 170.13122858 140.4
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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