CID 57466062

1-(4-methyl-1h-indol-3-yl)butan-2-amine

Structural Information

Molecular Formula
C13H18N2
SMILES
CCC(CC1=CNC2=CC=CC(=C21)C)N
InChI
InChI=1S/C13H18N2/c1-3-11(14)7-10-8-15-12-6-4-5-9(2)13(10)12/h4-6,8,11,15H,3,7,14H2,1-2H3
InChIKey
XKHCIOVNXOVPIK-UHFFFAOYSA-N
Compound name
1-(4-methyl-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 146.9
[M+Na]+ 225.136218 155.4
[M-H]- 201.139724 148.8
[M+NH4]+ 220.180823 167.0
[M+K]+ 241.110158 150.7
[M+H-H2O]+ 185.144260 140.6
[M+HCOO]- 247.145201 168.9
[M+CH3COO]- 261.160851 187.9
[M+Na-2H]- 223.121666 150.9
[M]+ 202.14645142 146.4
[M]- 202.14754858 146.4
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