CID 13411011

2,2-dipropyloxirane

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCC1(CO1)CCC

InChI

InChI=1S/C8H16O/c1-3-5-8(6-4-2)7-9-8/h3-7H2,1-2H3

InChIKey

YSJRGADMSFUEEA-UHFFFAOYSA-N

Compound name

2,2-dipropyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 128.12012 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]+	129.127396	128.8
[M+Na]+	151.109338	137.9
[M-H]-	127.112844	134.4
[M+NH4]+	146.153943	147.1
[M+K]+	167.083278	138.7
[M+H-H2O]+	111.117380	124.0
[M+HCOO]-	173.118321	151.3
[M+CH3COO]-	187.133971	176.8
[M+Na-2H]-	149.094786	137.7
[M]+	128.11957142	134.4
[M]-	128.12066858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe