CID 76846788

4-methoxy-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=C(C=CC2=C1C=CN2)C=O
InChI
InChI=1S/C10H9NO2/c1-13-10-7(6-12)2-3-9-8(10)4-5-11-9/h2-6,11H,1H3
InChIKey
PIXBSSKSRDUTHS-UHFFFAOYSA-N
Compound name
4-methoxy-1H-indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.06332 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe