CID 55253543

5-(2-aminopropyl)indole

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(CC1=CC2=C(C=C1)NC=C2)N
InChI
InChI=1S/C11H14N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8,13H,6,12H2,1H3
InChIKey
AULGMISRJWGTBA-UHFFFAOYSA-N
Compound name
1-(1H-indol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

182
Patents

174.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.4
[M+Na]+ 197.104908 145.9
[M-H]- 173.108414 139.3
[M+NH4]+ 192.149513 158.3
[M+K]+ 213.078848 141.7
[M+H-H2O]+ 157.112950 131.2
[M+HCOO]- 219.113891 160.1
[M+CH3COO]- 233.129541 150.5
[M+Na-2H]- 195.090356 143.3
[M]+ 174.11514142 135.8
[M]- 174.11623858 135.8
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