CID 104299

1-butyl-4-methylnaphthalene

Structural Information

Molecular Formula
C15H18
SMILES
CCCCC1=CC=C(C2=CC=CC=C12)C
InChI
InChI=1S/C15H18/c1-3-4-7-13-11-10-12(2)14-8-5-6-9-15(13)14/h5-6,8-11H,3-4,7H2,1-2H3
InChIKey
ZWRABTBXVLAGFC-UHFFFAOYSA-N
Compound name
1-butyl-4-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

198.14085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 144.6
[M+Na]+ 221.130068 152.9
[M-H]- 197.133574 149.2
[M+NH4]+ 216.174673 165.6
[M+K]+ 237.104008 148.8
[M+H-H2O]+ 181.138110 138.5
[M+HCOO]- 243.139051 167.2
[M+CH3COO]- 257.154701 189.2
[M+Na-2H]- 219.115516 151.6
[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