CID 292599

2-(4-methylphenyl)-1h-indole

Structural Information

Molecular Formula
C15H13N
SMILES
CC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H13N/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)16-15/h2-10,16H,1H3
InChIKey
VPXGIHGJJJBJFP-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

207.1048 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 144.4
[M+Na]+ 230.09402 154.7
[M-H]- 206.09752 150.3
[M+NH4]+ 225.13862 164.5
[M+K]+ 246.06796 148.6
[M+H-H2O]+ 190.10206 137.4
[M+HCOO]- 252.10300 167.9
[M+CH3COO]- 266.11865 158.2
[M+Na-2H]- 228.07947 151.5
[M]+ 207.10425 144.4
[M]- 207.10535 144.4
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