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

10
Patents

202.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 145.7
[M+Na]+ 225.13622 153.5
[M-H]- 201.13972 147.0
[M+NH4]+ 220.18082 165.4
[M+K]+ 241.11016 148.3
[M+H-H2O]+ 185.14426 138.9
[M+HCOO]- 247.14520 168.7
[M+CH3COO]- 261.16085 185.9
[M+Na-2H]- 223.12167 151.7
[M]+ 202.14645 145.3
[M]- 202.14755 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