CID 826456

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

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=CC2=C(C=C1)NC(=C2)C=O
InChI
InChI=1S/C10H9NO2/c1-13-9-2-3-10-7(5-9)4-8(6-12)11-10/h2-6,11H,1H3
InChIKey
IEHXXJMABHGXCG-UHFFFAOYSA-N
Compound name
5-methoxy-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

175.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.2
[M+Na]+ 198.05254 144.3
[M-H]- 174.05604 136.1
[M+NH4]+ 193.09714 154.9
[M+K]+ 214.02648 140.8
[M+H-H2O]+ 158.06058 127.5
[M+HCOO]- 220.06152 157.5
[M+CH3COO]- 234.07717 176.9
[M+Na-2H]- 196.03799 140.7
[M]+ 175.06277 136.1
[M]- 175.06387 136.1
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