CID 294853

2-methyl-3-propylindole

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

37
Patents

173.12045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 137.2
[M+Na]+ 196.109668 147.4
[M-H]- 172.113174 139.8
[M+NH4]+ 191.154273 159.2
[M+K]+ 212.083608 142.9
[M+H-H2O]+ 156.117710 131.5
[M+HCOO]- 218.118651 160.2
[M+CH3COO]- 232.134301 179.8
[M+Na-2H]- 194.095116 143.7
[M]+ 173.11990142 138.7
[M]- 173.12099858 138.7
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