CID 2512786

3-(1h-indol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C11H14N2
SMILES
C1=CC=C2C(=C1)C=CN2CCCN
InChI
InChI=1S/C11H14N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8,12H2
InChIKey
WUQNGTJFNCCRKY-UHFFFAOYSA-N
Compound name
3-indol-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

174.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.2
[M+Na]+ 197.10491 145.4
[M-H]- 173.10841 139.3
[M+NH4]+ 192.14951 157.9
[M+K]+ 213.07885 141.6
[M+H-H2O]+ 157.11295 129.6
[M+HCOO]- 219.11389 161.5
[M+CH3COO]- 233.12954 182.4
[M+Na-2H]- 195.09036 143.8
[M]+ 174.11514 137.1
[M]- 174.11624 137.1
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