CID 517859

2,3,5-trimethylfuran

Structural Information

Molecular Formula
C7H10O
SMILES
CC1=CC(=C(O1)C)C
InChI
InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKey
NJXZFRUNHWKHEC-UHFFFAOYSA-N
Compound name
2,3,5-trimethylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

577
Patents

110.073166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 118.1
[M+Na]+ 133.06238 128.4
[M-H]- 109.06589 123.4
[M+NH4]+ 128.10699 142.3
[M+K]+ 149.03632 128.7
[M+H-H2O]+ 93.070426 114.2
[M+HCOO]- 155.07137 143.5
[M+CH3COO]- 169.08702 169.6
[M+Na-2H]- 131.04783 125.0
[M]+ 110.07262 120.9
[M]- 110.07371 120.9
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