CID 170432

1-ethyl-2-methyl-1h-indole

Structural Information

Molecular Formula
C11H13N
SMILES
CCN1C(=CC2=CC=CC=C21)C
InChI
InChI=1S/C11H13N/c1-3-12-9(2)8-10-6-4-5-7-11(10)12/h4-8H,3H2,1-2H3
InChIKey
XMOWAIVXKJWQBJ-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

159.1048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 131.9
[M+Na]+ 182.09402 142.9
[M-H]- 158.09752 136.0
[M+NH4]+ 177.13862 155.1
[M+K]+ 198.06796 139.6
[M+H-H2O]+ 142.10206 126.0
[M+HCOO]- 204.10300 156.7
[M+CH3COO]- 218.11865 147.0
[M+Na-2H]- 180.07947 139.3
[M]+ 159.10425 134.8
[M]- 159.10535 134.8
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