CID 17836463

2-(1,4-dimethyl-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C2C(=CC=C1)N(C=C2CCN)C
InChI
InChI=1S/C12H16N2/c1-9-4-3-5-11-12(9)10(6-7-13)8-14(11)2/h3-5,8H,6-7,13H2,1-2H3
InChIKey
UNBKPIHKDMGYRU-UHFFFAOYSA-N
Compound name
2-(1,4-dimethylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 140.9
[M+Na]+ 211.12057 154.5
[M+NH4]+ 206.16517 150.2
[M+K]+ 227.09451 148.7
[M-H]- 187.12407 144.0
[M+Na-2H]- 209.10602 147.5
[M]+ 188.13080 143.7
[M]- 188.13190 143.7
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.