CID 31545

1,4,6-trimethyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C13H18
SMILES
CC1CCC(C2=C1C=CC(=C2)C)C
InChI
InChI=1S/C13H18/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4,7-8,10-11H,5-6H2,1-3H3
InChIKey
HIACZWPSGFMDRF-UHFFFAOYSA-N
Compound name
1,4,6-trimethyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 137.8
[M+Na]+ 197.130068 145.7
[M-H]- 173.133574 142.4
[M+NH4]+ 192.174673 159.9
[M+K]+ 213.104008 142.6
[M+H-H2O]+ 157.138110 132.3
[M+HCOO]- 219.139051 158.1
[M+CH3COO]- 233.154701 184.9
[M+Na-2H]- 195.115516 143.1
[M]+ 174.14030142 136.1
[M]- 174.14139858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe