CID 35872

5-(1h-indol-3-yl)pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCCCN
InChI
InChI=1S/C13H18N2/c14-9-5-1-2-6-11-10-15-13-8-4-3-7-12(11)13/h3-4,7-8,10,15H,1-2,5-6,9,14H2
InChIKey
OSQJMBHMUWMCDX-UHFFFAOYSA-N
Compound name
5-(1H-indol-3-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 145.7
[M+Na]+ 225.136218 153.5
[M-H]- 201.139724 147.0
[M+NH4]+ 220.180823 165.4
[M+K]+ 241.110158 148.3
[M+H-H2O]+ 185.144260 138.9
[M+HCOO]- 247.145201 168.7
[M+CH3COO]- 261.160851 185.9
[M+Na-2H]- 223.121666 151.7
[M]+ 202.14645142 145.3
[M]- 202.14754858 145.3
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

patents stripe