CID 12200728

2-isopropylfuran

Structural Information

Molecular Formula
C7H10O
SMILES
CC(C)C1=CC=CO1
InChI
InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3
InChIKey
AFOPCURQYRRFRQ-UHFFFAOYSA-N
Compound name
2-propan-2-ylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1851
Patents

110.073166 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.5
[M+Na]+ 133.06238 132.5
[M+NH4]+ 128.10699 130.1
[M+K]+ 149.03632 128.8
[M-H]- 109.06589 123.7
[M+Na-2H]- 131.04783 126.7
[M]+ 110.07262 123.1
[M]- 110.07371 123.1
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