CID 360252

2613384-12-4

Structural Information

Molecular Formula
C12H15BrN2
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKey
ATEYZYQLBQUZJE-UHFFFAOYSA-N
Compound name
2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

168
Patents

266.04187 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04915 154.3
[M+Na]+ 289.03109 166.5
[M-H]- 265.03459 160.6
[M+NH4]+ 284.07569 176.2
[M+K]+ 305.00503 154.6
[M+H-H2O]+ 249.03913 153.4
[M+HCOO]- 311.04007 176.1
[M+CH3COO]- 325.05572 197.5
[M+Na-2H]- 287.01654 160.9
[M]+ 266.04132 174.6
[M]- 266.04242 174.6
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