CID 85936

((isopentyloxy)methyl)oxirane

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)CCOCC1CO1

InChI

InChI=1S/C8H16O2/c1-7(2)3-4-9-5-8-6-10-8/h7-8H,3-6H2,1-2H3

InChIKey

YGOZVDCPBOZJMK-UHFFFAOYSA-N

Compound name

2-(3-methylbutoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 144.11504 Da
Monoisotopic Mass: 1.5
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	132.7
[M+Na]+	167.104258	141.0
[M-H]-	143.107764	137.9
[M+NH4]+	162.148863	148.4
[M+K]+	183.078198	141.4
[M+H-H2O]+	127.112300	126.5
[M+HCOO]-	189.113241	154.8
[M+CH3COO]-	203.128891	179.9
[M+Na-2H]-	165.089706	139.2
[M]+	144.11449142	138.8
[M]-	144.11558858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe