CID 1132872

5-methoxy-3-methyl-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=C(NC2=C1C=C(C=C2)OC)C=O
InChI
InChI=1S/C11H11NO2/c1-7-9-5-8(14-2)3-4-10(9)12-11(7)6-13/h3-6,12H,1-2H3
InChIKey
HBQUHHXDJIUUIL-UHFFFAOYSA-N
Compound name
5-methoxy-3-methyl-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

189.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.6
[M+Na]+ 212.06820 152.6
[M+NH4]+ 207.11280 147.0
[M+K]+ 228.04214 147.6
[M-H]- 188.07170 140.0
[M+Na-2H]- 210.05365 144.6
[M]+ 189.07843 140.9
[M]- 189.07953 140.9
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