CID 3017207

1-methyl-4-(2-methylpropyl)naphthalene

Structural Information

Molecular Formula
C15H18
SMILES
CC1=CC=C(C2=CC=CC=C12)CC(C)C
InChI
InChI=1S/C15H18/c1-11(2)10-13-9-8-12(3)14-6-4-5-7-15(13)14/h4-9,11H,10H2,1-3H3
InChIKey
ZIVPLQNIQDIJBX-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methylpropyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

198.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 144.8
[M+Na]+ 221.130068 152.8
[M-H]- 197.133574 149.4
[M+NH4]+ 216.174673 165.7
[M+K]+ 237.104008 149.1
[M+H-H2O]+ 181.138110 138.8
[M+HCOO]- 243.139051 166.3
[M+CH3COO]- 257.154701 190.0
[M+Na-2H]- 219.115516 150.5
[M]+ 198.14030142 145.7
[M]- 198.14139858 145.7
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