CID 59008

101832-78-4

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)C(CC1=CN(C2=CC=CC=C21)C)N
InChI
InChI=1S/C14H20N2/c1-10(2)13(15)8-11-9-16(3)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,15H2,1-3H3
InChIKey
PDWLVTSRLBTGBC-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-methylindol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 151.9
[M+Na]+ 239.15186 160.0
[M-H]- 215.15536 155.1
[M+NH4]+ 234.19646 172.0
[M+K]+ 255.12580 156.5
[M+H-H2O]+ 199.15990 145.2
[M+HCOO]- 261.16084 174.0
[M+CH3COO]- 275.17649 194.3
[M+Na-2H]- 237.13731 154.5
[M]+ 216.16209 152.9
[M]- 216.16319 152.9
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

No patent data available for this compound.