CID 294853

2-methyl-3-propyl-1h-indole

Structural Information

Molecular Formula
C12H15N
SMILES
CCCC1=C(NC2=CC=CC=C21)C
InChI
InChI=1S/C12H15N/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-5,7-8,13H,3,6H2,1-2H3
InChIKey
GIBILVCRUAOSDE-UHFFFAOYSA-N
Compound name
2-methyl-3-propyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

173.12045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 137.2
[M+Na]+ 196.10967 151.5
[M+NH4]+ 191.15427 147.0
[M+K]+ 212.08361 145.2
[M-H]- 172.11317 139.8
[M+Na-2H]- 194.09512 144.3
[M]+ 173.11990 140.1
[M]- 173.12100 140.1
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