CID 3020954

1,2,3,4-tetrahydro-1-methyl-4-nonylnaphthalene

Structural Information

Molecular Formula
C20H32
SMILES
CCCCCCCCCC1CCC(C2=CC=CC=C12)C
InChI
InChI=1S/C20H32/c1-3-4-5-6-7-8-9-12-18-16-15-17(2)19-13-10-11-14-20(18)19/h10-11,13-14,17-18H,3-9,12,15-16H2,1-2H3
InChIKey
MJRWNISWNMCQDF-UHFFFAOYSA-N
Compound name
1-methyl-4-nonyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 171.2
[M+Na]+ 295.23962 175.0
[M-H]- 271.24312 173.8
[M+NH4]+ 290.28422 188.8
[M+K]+ 311.21356 170.0
[M+H-H2O]+ 255.24766 163.8
[M+HCOO]- 317.24860 189.0
[M+CH3COO]- 331.26425 204.9
[M+Na-2H]- 293.22507 173.1
[M]+ 272.24985 171.5
[M]- 272.25095 171.5
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.