CID 138978

2-[(pentyloxy)methyl]oxirane

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CCCCCOCC1CO1

InChI

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

InChIKey

IQCASZIDTNHBIW-UHFFFAOYSA-N

Compound name

2-(pentoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3200
Patents: 144.11504 Da
Monoisotopic Mass: 1.6
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	132.8
[M+Na]+	167.104258	141.3
[M-H]-	143.107764	138.0
[M+NH4]+	162.148863	148.5
[M+K]+	183.078198	141.4
[M+H-H2O]+	127.112300	126.6
[M+HCOO]-	189.113241	155.8
[M+CH3COO]-	203.128891	179.1
[M+Na-2H]-	165.089706	140.5
[M]+	144.11449142	139.5
[M]-	144.11558858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe