CID 65335384

3-ethyl-2-propyl-1h-indole

Structural Information

Molecular Formula
C13H17N
SMILES
CCCC1=C(C2=CC=CC=C2N1)CC
InChI
InChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKey
ZBCKFPVSLNTUKR-UHFFFAOYSA-N
Compound name
3-ethyl-2-propyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.0
[M+Na]+ 210.12532 151.7
[M-H]- 186.12882 144.3
[M+NH4]+ 205.16992 163.4
[M+K]+ 226.09926 146.9
[M+H-H2O]+ 170.13336 136.0
[M+HCOO]- 232.13430 164.6
[M+CH3COO]- 246.14995 182.8
[M+Na-2H]- 208.11077 147.8
[M]+ 187.13555 143.8
[M]- 187.13665 143.8
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