CID 6452095

Ns00125732

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(CN)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3
InChIKey
UNUICNBHOJTXMS-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

108
Patents

174.11569 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.