CID 10797

2-methylfuran

Structural Information

Molecular Formula
C5H6O
SMILES
CC1=CC=CO1
InChI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
VQKFNUFAXTZWDK-UHFFFAOYSA-N
Compound name
2-methylfuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

207
References

36613
Patents

82.04186 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 111.0
[M+Na]+ 105.03108 123.7
[M+NH4]+ 100.07568 121.0
[M+K]+ 121.00502 119.7
[M-H]- 81.034584 114.5
[M+Na-2H]- 103.01653 118.1
[M]+ 82.041311 113.8
[M]- 82.042409 113.8
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