CID 1382010

6-methoxy-1-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C11H11NO2
SMILES
CN1C=C(C2=C1C=C(C=C2)OC)C=O
InChI
InChI=1S/C11H11NO2/c1-12-6-8(7-13)10-4-3-9(14-2)5-11(10)12/h3-7H,1-2H3
InChIKey
WRHNJAIUBFJMEM-UHFFFAOYSA-N
Compound name
6-methoxy-1-methylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

37
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.0
[M+Na]+ 212.06820 149.0
[M-H]- 188.07170 141.5
[M+NH4]+ 207.11280 159.1
[M+K]+ 228.04214 146.1
[M+H-H2O]+ 172.07624 131.1
[M+HCOO]- 234.07718 162.4
[M+CH3COO]- 248.09283 183.7
[M+Na-2H]- 210.05365 143.7
[M]+ 189.07843 142.5
[M]- 189.07953 142.5
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