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

119
Patents

160.05243 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe