CID 3088700

1-methyl-3-ethylaminomethylindole hydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
CCNCC1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C12H16N2/c1-3-13-8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKey
YORMUYRRCSITFV-UHFFFAOYSA-N
Compound name
N-[(1-methylindol-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 140.6
[M+Na]+ 211.120568 150.3
[M-H]- 187.124074 144.4
[M+NH4]+ 206.165173 162.3
[M+K]+ 227.094508 146.6
[M+H-H2O]+ 171.128610 134.0
[M+HCOO]- 233.129551 166.1
[M+CH3COO]- 247.145201 187.2
[M+Na-2H]- 209.106016 147.9
[M]+ 188.13080142 143.2
[M]- 188.13189858 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

patents stripe