CID 8404

1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H12
SMILES
C1CCC2=CC=CC=C2C1
InChI
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
InChIKey
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

256
References

169229
Patents

132.0939 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 125.0
[M+Na]+ 155.08312 131.4
[M-H]- 131.08662 129.0
[M+NH4]+ 150.12772 147.8
[M+K]+ 171.05706 128.9
[M+H-H2O]+ 115.09116 119.4
[M+HCOO]- 177.09210 146.4
[M+CH3COO]- 191.10775 138.7
[M+Na-2H]- 153.06857 134.1
[M]+ 132.09335 121.1
[M]- 132.09445 121.1
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.