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

175
Patents

187.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 141.5
[M+Na]+ 210.125318 151.6
[M-H]- 186.128824 145.2
[M+NH4]+ 205.169923 163.6
[M+K]+ 226.099258 147.8
[M+H-H2O]+ 170.133360 135.2
[M+HCOO]- 232.134301 165.6
[M+CH3COO]- 246.149951 185.5
[M+Na-2H]- 208.110766 147.8
[M]+ 187.13555142 145.1
[M]- 187.13664858 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