CID 3016030

1-butyl-2-methylnaphthalene

Structural Information

Molecular Formula
C15H18
SMILES
CCCCC1=C(C=CC2=CC=CC=C21)C
InChI
InChI=1S/C15H18/c1-3-4-8-14-12(2)10-11-13-7-5-6-9-15(13)14/h5-7,9-11H,3-4,8H2,1-2H3
InChIKey
RJFYXVFTHRILQA-UHFFFAOYSA-N
Compound name
1-butyl-2-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

198.14085 Da
Monoisotopic Mass

5.8
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

No literature data available for this compound.

Patent stripe

patents stripe