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]+ 273.257676 171.2
[M+Na]+ 295.239618 175.0
[M-H]- 271.243124 173.8
[M+NH4]+ 290.284223 188.8
[M+K]+ 311.213558 170.0
[M+H-H2O]+ 255.247660 163.8
[M+HCOO]- 317.248601 189.0
[M+CH3COO]- 331.264251 204.9
[M+Na-2H]- 293.225066 173.1
[M]+ 272.24985142 171.5
[M]- 272.25094858 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.