CID 3020956

1-butyl-1,2,3,4-tetrahydro-4-methylnaphthalene

Structural Information

Molecular Formula
C15H22
SMILES
CCCCC1CCC(C2=CC=CC=C12)C
InChI
InChI=1S/C15H22/c1-3-4-7-13-11-10-12(2)14-8-5-6-9-15(13)14/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3
InChIKey
ZAPFTEJQJIGRNN-UHFFFAOYSA-N
Compound name
1-butyl-4-methyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.17215 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 147.8
[M+Na]+ 225.161368 153.9
[M-H]- 201.164874 151.6
[M+NH4]+ 220.205973 168.5
[M+K]+ 241.135308 150.2
[M+H-H2O]+ 185.169410 141.6
[M+HCOO]- 247.170351 167.4
[M+CH3COO]- 261.186001 189.9
[M+Na-2H]- 223.146816 152.7
[M]+ 202.17160142 146.4
[M]- 202.17269858 146.4
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.