CID 9921064

St1936

Structural Information

Molecular Formula
C13H17ClN2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C
InChI
InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3
InChIKey
KSYMELKKLOFABL-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

14
Patents

236.10803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11531 151.8
[M+Na]+ 259.09725 166.0
[M+NH4]+ 254.14185 161.3
[M+K]+ 275.07119 159.6
[M-H]- 235.10075 154.9
[M+Na-2H]- 257.08270 158.3
[M]+ 236.10748 155.1
[M]- 236.10858 155.1
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