CID 12871456

2,2-dimethyl-2,5-dihydrofuran

Structural Information

Molecular Formula
C6H10O
SMILES
CC1(C=CCO1)C
InChI
InChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H,5H2,1-2H3
InChIKey
VTJBOLLYKNPLGP-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2H-furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

98.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 115.8
[M+Na]+ 121.06238 124.4
[M-H]- 97.065890 120.4
[M+NH4]+ 116.10699 141.7
[M+K]+ 137.03632 125.4
[M+H-H2O]+ 81.070426 112.2
[M+HCOO]- 143.07137 140.0
[M+CH3COO]- 157.08702 164.3
[M+Na-2H]- 119.04783 124.7
[M]+ 98.072617 116.2
[M]- 98.073715 116.2
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