CID 8028

Tetrahydrofuran

Structural Information

Molecular Formula
C4H8O
SMILES
C1CCOC1
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey
WYURNTSHIVDZCO-UHFFFAOYSA-N
Compound name
oxolane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3544
References

416350
Patents

72.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 110.6
[M+Na]+ 95.046738 117.0
[M-H]- 71.050244 114.3
[M+NH4]+ 90.091343 135.0
[M+K]+ 111.02068 118.7
[M+H-H2O]+ 55.054780 106.1
[M+HCOO]- 117.05572 133.8
[M+CH3COO]- 131.07137 158.0
[M+Na-2H]- 93.032186 118.9
[M]+ 72.056971 108.1
[M]- 72.058069 108.1
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