CID 20359

2-methyl-2-pentyl-1,3-dioxolane

Structural Information

Molecular Formula
C9H18O2
SMILES
CCCCCC1(OCCO1)C
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-9(2)10-7-8-11-9/h3-8H2,1-2H3
InChIKey
OUQPLRDJDIOBOU-UHFFFAOYSA-N
Compound name
2-methyl-2-pentyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

158.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 135.0
[M+Na]+ 181.11990 141.2
[M-H]- 157.12340 139.2
[M+NH4]+ 176.16450 157.0
[M+K]+ 197.09384 143.0
[M+H-H2O]+ 141.12794 130.9
[M+HCOO]- 203.12888 155.9
[M+CH3COO]- 217.14453 175.8
[M+Na-2H]- 179.10535 142.2
[M]+ 158.13013 137.1
[M]- 158.13123 137.1
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