CID 84076280

7-methoxy-1h-indole-6-carbaldehyde

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=C(C=CC2=C1NC=C2)C=O
InChI
InChI=1S/C10H9NO2/c1-13-10-8(6-12)3-2-7-4-5-11-9(7)10/h2-6,11H,1H3
InChIKey
LUDVJLXMPVZKBY-UHFFFAOYSA-N
Compound name
7-methoxy-1H-indole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 133.2
[M+Na]+ 198.052538 144.3
[M-H]- 174.056044 136.1
[M+NH4]+ 193.097143 154.9
[M+K]+ 214.026478 140.8
[M+H-H2O]+ 158.060580 127.5
[M+HCOO]- 220.061521 157.5
[M+CH3COO]- 234.077171 176.9
[M+Na-2H]- 196.037986 140.7
[M]+ 175.06277142 136.1
[M]- 175.06386858 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

No patent data available for this compound.