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
1
Annotation Hits

0
References

213
Patents

243.1987 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 160.5
[M+Na]+ 266.18792 168.8
[M-H]- 242.19142 163.4
[M+NH4]+ 261.23252 180.2
[M+K]+ 282.16186 163.9
[M+H-H2O]+ 226.19596 153.3
[M+HCOO]- 288.19690 183.2
[M+CH3COO]- 302.21255 197.5
[M+Na-2H]- 264.17337 164.4
[M]+ 243.19815 165.5
[M]- 243.19925 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