CID 69155

1,4-dihydronaphthalene

Structural Information

Molecular Formula
C10H10
SMILES
C1C=CCC2=CC=CC=C21
InChI
InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2
InChIKey
FUPIVZHYVSCYLX-UHFFFAOYSA-N
Compound name
1,4-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

12833
Patents

130.07825 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08553 123.2
[M+Na]+ 153.06747 130.7
[M-H]- 129.07097 127.6
[M+NH4]+ 148.11207 146.2
[M+K]+ 169.04141 128.0
[M+H-H2O]+ 113.07551 117.7
[M+HCOO]- 175.07645 146.1
[M+CH3COO]- 189.09210 137.5
[M+Na-2H]- 151.05292 133.4
[M]+ 130.07770 120.8
[M]- 130.07880 120.8
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