CID 70642

5-methoxy-2-methylindole

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC2=C(N1)C=CC(=C2)OC
InChI
InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
InChIKey
VSWGLJOQFUMFOQ-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

884
Patents

161.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 131.1
[M+Na]+ 184.073278 142.1
[M-H]- 160.076784 134.1
[M+NH4]+ 179.117883 153.5
[M+K]+ 200.047218 138.6
[M+H-H2O]+ 144.081320 125.6
[M+HCOO]- 206.082261 155.0
[M+CH3COO]- 220.097911 175.8
[M+Na-2H]- 182.058726 138.7
[M]+ 161.08351142 133.3
[M]- 161.08460858 133.3
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