CID 518732

1-pentylnaphthalene

Structural Information

Molecular Formula
C15H18
SMILES
CCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h5-7,9-12H,2-4,8H2,1H3
InChIKey
FDHDUXOBMHHFFJ-UHFFFAOYSA-N
Compound name
1-pentylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3208
Patents

198.14085 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 145.1
[M+Na]+ 221.130068 152.4
[M-H]- 197.133574 149.2
[M+NH4]+ 216.174673 165.7
[M+K]+ 237.104008 148.2
[M+H-H2O]+ 181.138110 138.7
[M+HCOO]- 243.139051 167.6
[M+CH3COO]- 257.154701 188.1
[M+Na-2H]- 219.115516 152.7
[M]+ 198.14030142 146.2
[M]- 198.14139858 146.2
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