CID 10678534

40724-03-6

Structural Information

Molecular Formula
C10H8O2
SMILES
CC1=CC2=C(C=C1)OC(=C2)C=O
InChI
InChI=1S/C10H8O2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-6H,1H3
InChIKey
WPUWQBYGLWXSRS-UHFFFAOYSA-N
Compound name
5-methyl-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

160.05243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 127.6
[M+Na]+ 183.04165 139.3
[M-H]- 159.04515 134.1
[M+NH4]+ 178.08625 150.7
[M+K]+ 199.01559 137.8
[M+H-H2O]+ 143.04969 123.0
[M+HCOO]- 205.05063 153.8
[M+CH3COO]- 219.06628 176.9
[M+Na-2H]- 181.02710 136.6
[M]+ 160.05188 132.5
[M]- 160.05298 132.5
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