CID 13363096

Naphthalene, 1,2,3,4-tetrahydro(1-phenylethyl)-

Structural Information

Molecular Formula
C18H20
SMILES
CC(C1CCCC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C18H20/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17/h2-6,8-10,12,14,17H,7,11,13H2,1H3
InChIKey
HQCUSXPGMKCZGE-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

236.1565 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.163776 155.3
[M+Na]+ 259.145718 160.2
[M-H]- 235.149224 161.8
[M+NH4]+ 254.190323 173.5
[M+K]+ 275.119658 155.4
[M+H-H2O]+ 219.153760 147.5
[M+HCOO]- 281.154701 174.2
[M+CH3COO]- 295.170351 166.6
[M+Na-2H]- 257.131166 160.4
[M]+ 236.15595142 151.2
[M]- 236.15704858 151.2
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

patents stripe