CID 62913

2,5-diethyltetrahydrofuran

Structural Information

Molecular Formula
C8H16O
SMILES
CCC1CCC(O1)CC
InChI
InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
InChIKey
YKWLEIXVUHRKEF-UHFFFAOYSA-N
Compound name
2,5-diethyloxolane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

295
Patents

128.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 128.2
[M+Na]+ 151.10934 134.9
[M-H]- 127.11284 132.1
[M+NH4]+ 146.15394 151.1
[M+K]+ 167.08328 135.4
[M+H-H2O]+ 111.11738 123.6
[M+HCOO]- 173.11832 150.2
[M+CH3COO]- 187.13397 172.3
[M+Na-2H]- 149.09479 133.1
[M]+ 128.11957 128.0
[M]- 128.12067 128.0
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