CID 3007408

2-propen-1-one, 1-(2-furanyl)-2-methyl-

Structural Information

Molecular Formula
C8H8O2
SMILES
CC(=C)C(=O)C1=CC=CO1
InChI
InChI=1S/C8H8O2/c1-6(2)8(9)7-4-3-5-10-7/h3-5H,1H2,2H3
InChIKey
HWCHHYSIVLBULK-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

136.05243 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 126.4
[M+Na]+ 159.04165 134.3
[M-H]- 135.04515 130.9
[M+NH4]+ 154.08625 148.4
[M+K]+ 175.01559 134.5
[M+H-H2O]+ 119.04969 121.6
[M+HCOO]- 181.05063 149.9
[M+CH3COO]- 195.06628 172.3
[M+Na-2H]- 157.02710 131.4
[M]+ 136.05188 127.4
[M]- 136.05298 127.4
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