CID 87270

17726-03-3

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C(C2=CC=CC=C2N1C)CCN
InChI
InChI=1S/C12H16N2/c1-9-10(7-8-13)11-5-3-4-6-12(11)14(9)2/h3-6H,7-8,13H2,1-2H3
InChIKey
KBEZJUQXXJDBDZ-UHFFFAOYSA-N
Compound name
2-(1,2-dimethylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1638
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 141.2
[M+Na]+ 211.120568 151.8
[M-H]- 187.124074 144.9
[M+NH4]+ 206.165173 162.9
[M+K]+ 227.094508 147.7
[M+H-H2O]+ 171.128610 135.0
[M+HCOO]- 233.129551 166.0
[M+CH3COO]- 247.145201 187.7
[M+Na-2H]- 209.106016 146.7
[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

literature stripe

Patent stripe

patents stripe