CID 59014

Indole, 3-(2-aminopropyl)-5-dimethylamino-, dihydrochloride

Structural Information

Molecular Formula
C13H19N3
SMILES
CC(CC1=CNC2=C1C=C(C=C2)N(C)C)N
InChI
InChI=1S/C13H19N3/c1-9(14)6-10-8-15-13-5-4-11(16(2)3)7-12(10)13/h4-5,7-9,15H,6,14H2,1-3H3
InChIKey
VQMVTEBMNHSUGD-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)-N,N-dimethyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 150.7
[M+Na]+ 240.147118 158.4
[M-H]- 216.150624 154.1
[M+NH4]+ 235.191723 170.4
[M+K]+ 256.121058 155.1
[M+H-H2O]+ 200.155160 143.8
[M+HCOO]- 262.156101 174.2
[M+CH3COO]- 276.171751 196.3
[M+Na-2H]- 238.132566 154.4
[M]+ 217.15735142 150.7
[M]- 217.15844858 150.7
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.