CID 13855

2,5-dimethyltetrahydrofuran

Structural Information

Molecular Formula
C6H12O
SMILES
CC1CCC(O1)C
InChI
InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3
InChIKey
OXMIDRBAFOEOQT-UHFFFAOYSA-N
Compound name
2,5-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

4105
Patents

100.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 118.7
[M+Na]+ 123.078028 126.2
[M-H]- 99.081534 122.9
[M+NH4]+ 118.122633 142.7
[M+K]+ 139.051968 127.3
[M+H-H2O]+ 83.086070 114.5
[M+HCOO]- 145.087011 141.3
[M+CH3COO]- 159.102661 166.2
[M+Na-2H]- 121.063476 124.7
[M]+ 100.08826142 117.7
[M]- 100.08935858 117.7
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