CID 77095

1-methyl-2-phenylindole

Structural Information

Molecular Formula
C15H13N
SMILES
CN1C2=CC=CC=C2C=C1C3=CC=CC=C3
InChI
InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
SFWZZSXCWQTORH-UHFFFAOYSA-N
Compound name
1-methyl-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

1463
Patents

207.1048 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 144.3
[M+Na]+ 230.09402 154.9
[M-H]- 206.09752 151.4
[M+NH4]+ 225.13862 165.0
[M+K]+ 246.06796 149.8
[M+H-H2O]+ 190.10206 136.9
[M+HCOO]- 252.10300 169.2
[M+CH3COO]- 266.11865 158.6
[M+Na-2H]- 228.07947 151.7
[M]+ 207.10425 146.0
[M]- 207.10535 146.0
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