CID 1527644

1018592-84-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.6
[M+Na]+ 211.12057 151.8
[M-H]- 187.12407 144.0
[M+NH4]+ 206.16517 162.6
[M+K]+ 227.09451 146.8
[M+H-H2O]+ 171.12861 135.7
[M+HCOO]- 233.12955 164.9
[M+CH3COO]- 247.14520 185.1
[M+Na-2H]- 209.10602 146.7
[M]+ 188.13080 141.8
[M]- 188.13190 141.8
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.