CID 77050

2-pentyl-1,3-dioxolane

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CCCCCC1OCCO1

InChI

InChI=1S/C8H16O2/c1-2-3-4-5-8-9-6-7-10-8/h8H,2-7H2,1H3

InChIKey

GXLCAMYCQRAOMY-UHFFFAOYSA-N

Compound name

2-pentyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 144.11504 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.122316	132.2
[M+Na]+	167.104258	137.9
[M-H]-	143.107764	136.2
[M+NH4]+	162.148863	152.7
[M+K]+	183.078198	139.7
[M+H-H2O]+	127.112300	127.3
[M+HCOO]-	189.113241	153.4
[M+CH3COO]-	203.128891	173.3
[M+Na-2H]-	165.089706	138.6
[M]+	144.11449142	133.6
[M]-	144.11558858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe