CID 398554

1-methoxy-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H9NO2
SMILES
CON1C=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey
NFGIENSPALNOON-UHFFFAOYSA-N
Compound name
1-methoxyindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

31
Patents

175.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 132.6
[M+Na]+ 198.05254 144.2
[M-H]- 174.05604 136.9
[M+NH4]+ 193.09714 155.0
[M+K]+ 214.02648 141.5
[M+H-H2O]+ 158.06058 126.6
[M+HCOO]- 220.06152 158.4
[M+CH3COO]- 234.07717 179.6
[M+Na-2H]- 196.03799 140.6
[M]+ 175.06277 137.4
[M]- 175.06387 137.4
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