CID 3084883

1-butyl-2-methyl-1h-indole

Structural Information

Molecular Formula
C13H17N
SMILES
CCCCN1C(=CC2=CC=CC=C21)C
InChI
InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3
InChIKey
OPAHUBUOHKIOOL-UHFFFAOYSA-N
Compound name
1-butyl-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
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 141.5
[M+Na]+ 210.12532 151.6
[M-H]- 186.12882 145.2
[M+NH4]+ 205.16992 163.6
[M+K]+ 226.09926 147.8
[M+H-H2O]+ 170.13336 135.2
[M+HCOO]- 232.13430 165.6
[M+CH3COO]- 246.14995 185.5
[M+Na-2H]- 208.11077 147.8
[M]+ 187.13555 145.1
[M]- 187.13665 145.1
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