CID 14151212

2-(1,7-dimethyl-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C2C(=CC=C1)C(=CN2C)CCN
InChI
InChI=1S/C12H16N2/c1-9-4-3-5-11-10(6-7-13)8-14(2)12(9)11/h3-5,8H,6-7,13H2,1-2H3
InChIKey
DFKIETDRDXWUSE-UHFFFAOYSA-N
Compound name
2-(1,7-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 141.2
[M+Na]+ 211.12057 151.8
[M-H]- 187.12407 144.9
[M+NH4]+ 206.16517 162.9
[M+K]+ 227.09451 147.7
[M+H-H2O]+ 171.12861 135.0
[M+HCOO]- 233.12955 166.0
[M+CH3COO]- 247.14520 187.7
[M+Na-2H]- 209.10602 146.7
[M]+ 188.13080 143.2
[M]- 188.13190 143.2
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.