CID 3775467

2-methyl-1-benzothiophene-3-carbaldehyde

Structural Information

Molecular Formula
C10H8OS
SMILES
CC1=C(C2=CC=CC=C2S1)C=O
InChI
InChI=1S/C10H8OS/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChIKey
GDAUIGNXYBQHNU-UHFFFAOYSA-N
Compound name
2-methyl-1-benzothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

176.02959 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03687 134.0
[M+Na]+ 199.01881 148.5
[M+NH4]+ 194.06341 144.7
[M+K]+ 214.99275 140.4
[M-H]- 175.02231 137.5
[M+Na-2H]- 197.00426 141.1
[M]+ 176.02904 137.7
[M]- 176.03014 137.7
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