CID 141557

1,2,3,4-tetrahydro-2,5,8-trimethylnaphthalene

Structural Information

Molecular Formula
C13H18
SMILES
CC1CCC2=C(C=CC(=C2C1)C)C
InChI
InChI=1S/C13H18/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h5-6,9H,4,7-8H2,1-3H3
InChIKey
CMWCSSCXHBQEPX-UHFFFAOYSA-N
Compound name
2,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.