CID 12399210

68742-28-9

Structural Information

Molecular Formula
C10H11N
SMILES
CCC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C10H11N/c1-2-8-3-4-10-9(7-8)5-6-11-10/h3-7,11H,2H2,1H3
InChIKey
OLOBSRWDALLNKY-UHFFFAOYSA-N
Compound name
5-ethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

524
Patents

145.08914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 128.0
[M+Na]+ 168.07836 138.1
[M-H]- 144.08186 130.5
[M+NH4]+ 163.12296 150.8
[M+K]+ 184.05230 134.1
[M+H-H2O]+ 128.08640 122.3
[M+HCOO]- 190.08734 151.7
[M+CH3COO]- 204.10299 142.5
[M+Na-2H]- 166.06381 136.2
[M]+ 145.08859 128.3
[M]- 145.08969 128.3
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