CID 297000

6-n-propyltetralin

Structural Information

Molecular Formula
C13H18
SMILES
CCCC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C13H18/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h8-10H,2-7H2,1H3
InChIKey
DSPJLZIUEXVMGA-UHFFFAOYSA-N
Compound name
6-propyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 138.8
[M+Na]+ 197.130068 144.8
[M-H]- 173.133574 142.6
[M+NH4]+ 192.174673 160.3
[M+K]+ 213.104008 141.6
[M+H-H2O]+ 157.138110 132.8
[M+HCOO]- 219.139051 159.1
[M+CH3COO]- 233.154701 182.7
[M+Na-2H]- 195.115516 145.5
[M]+ 174.14030142 136.4
[M]- 174.14139858 136.4
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