CID 53432294

5-(naphthalen-1-yl)pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C15H19N
SMILES
C1=CC=C2C(=C1)C=CC=C2CCCCCN
InChI
InChI=1S/C15H19N/c16-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,6,8-11H,1-2,5,7,12,16H2
InChIKey
UNZAPRWRLHDGIA-UHFFFAOYSA-N
Compound name
5-naphthalen-1-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

213.15175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 149.4
[M+Na]+ 236.140968 155.8
[M-H]- 212.144474 152.8
[M+NH4]+ 231.185573 168.7
[M+K]+ 252.114908 151.1
[M+H-H2O]+ 196.149010 142.6
[M+HCOO]- 258.149951 172.3
[M+CH3COO]- 272.165601 192.2
[M+Na-2H]- 234.126416 156.3
[M]+ 213.15120142 148.8
[M]- 213.15229858 148.8
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

patents stripe