CID 170708

2-methyl-1-octyl-1h-indole

Structural Information

Molecular Formula
C17H25N
SMILES
CCCCCCCCN1C(=CC2=CC=CC=C21)C
InChI
InChI=1S/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKey
MOVCYDNEZZZSLV-UHFFFAOYSA-N
Compound name
2-methyl-1-octylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

218
Patents

243.1987 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 160.5
[M+Na]+ 266.187918 168.8
[M-H]- 242.191424 163.4
[M+NH4]+ 261.232523 180.2
[M+K]+ 282.161858 163.9
[M+H-H2O]+ 226.195960 153.3
[M+HCOO]- 288.196901 183.2
[M+CH3COO]- 302.212551 197.5
[M+Na-2H]- 264.173366 164.4
[M]+ 243.19815142 165.5
[M]- 243.19924858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe