CID 3613698

1,2,3,4,5,6,7-heptamethylnaphthalene

Structural Information

Molecular Formula
C17H22
SMILES
CC1=CC2=C(C(=C(C(=C2C(=C1C)C)C)C)C)C
InChI
InChI=1S/C17H22/c1-9-8-16-13(5)11(3)12(4)15(7)17(16)14(6)10(9)2/h8H,1-7H3
InChIKey
YERYJCYQFSPGAE-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7-heptamethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

226.17215 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17943 150.2
[M+Na]+ 249.16137 162.2
[M-H]- 225.16487 156.4
[M+NH4]+ 244.20597 171.7
[M+K]+ 265.13531 158.0
[M+H-H2O]+ 209.16941 145.0
[M+HCOO]- 271.17035 171.9
[M+CH3COO]- 285.18600 201.2
[M+Na-2H]- 247.14682 152.8
[M]+ 226.17160 154.5
[M]- 226.17270 154.5
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

No patent data available for this compound.