CID 45479662

1h-indole-3-acetaldehyde, 5-methoxy-

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=CC2=C(C=C1)NC=C2CC=O
InChI
InChI=1S/C11H11NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,5-7,12H,4H2,1H3
InChIKey
XVHHCGDXCDKKLH-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.0
[M+Na]+ 212.068198 148.6
[M-H]- 188.071704 140.7
[M+NH4]+ 207.112803 159.0
[M+K]+ 228.042138 144.8
[M+H-H2O]+ 172.076240 132.0
[M+HCOO]- 234.077181 161.9
[M+CH3COO]- 248.092831 180.0
[M+Na-2H]- 210.053646 144.9
[M]+ 189.07843142 141.2
[M]- 189.07952858 141.2
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