CID 27010

2,2,5,5-tetramethyltetrahydrofuran

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CCC(O1)(C)C)C
InChI
InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
InChIKey
BBLDTXFLAHKYFJ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyloxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

800
Patents

128.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 123.6
[M+Na]+ 151.10934 132.1
[M-H]- 127.11284 128.3
[M+NH4]+ 146.15394 150.5
[M+K]+ 167.08328 133.0
[M+H-H2O]+ 111.11738 120.9
[M+HCOO]- 173.11832 145.6
[M+CH3COO]- 187.13397 171.7
[M+Na-2H]- 149.09479 131.2
[M]+ 128.11957 124.0
[M]- 128.12067 124.0
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