CID 594459

2-methylbenzofuran-3-carbaldehyde

Structural Information

Molecular Formula
C10H8O2
SMILES
CC1=C(C2=CC=CC=C2O1)C=O
InChI
InChI=1S/C10H8O2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChIKey
MSCYILGZMAMAQX-UHFFFAOYSA-N
Compound name
2-methyl-1-benzofuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

160.05243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.059706 127.6
[M+Na]+ 183.041648 139.3
[M-H]- 159.045154 134.1
[M+NH4]+ 178.086253 150.7
[M+K]+ 199.015588 137.8
[M+H-H2O]+ 143.049690 123.0
[M+HCOO]- 205.050631 153.8
[M+CH3COO]- 219.066281 176.9
[M+Na-2H]- 181.027096 136.6
[M]+ 160.05188142 132.5
[M]- 160.05297858 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

No literature data available for this compound.

Patent stripe

patents stripe