CID 12281224

1-(3-methylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8O2
SMILES
CC1=C(OC=C1)C(=O)C
InChI
InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
InChIKey
RJBGVAIXGHZIDY-UHFFFAOYSA-N
Compound name
1-(3-methylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

124.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 121.5
[M+Na]+ 147.04165 130.7
[M-H]- 123.04515 126.4
[M+NH4]+ 142.08625 144.5
[M+K]+ 163.01559 131.3
[M+H-H2O]+ 107.04969 117.1
[M+HCOO]- 169.05063 146.2
[M+CH3COO]- 183.06628 170.4
[M+Na-2H]- 145.02710 127.7
[M]+ 124.05188 123.9
[M]- 124.05298 123.9
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