CID 108461

Naphthalene, 1,2,3,4-tetrahydro-5-(1-phenylethyl)-

Structural Information

Molecular Formula
C18H20
SMILES
CC(C1=CC=CC=C1)C2=CC=CC3=C2CCCC3
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/h2-4,7-9,11,13-14H,5-6,10,12H2,1H3
InChIKey
TXOHWLOHKUPUKO-UHFFFAOYSA-N
Compound name
5-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

236.1565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16378 155.3
[M+Na]+ 259.14572 160.2
[M-H]- 235.14922 161.8
[M+NH4]+ 254.19032 173.5
[M+K]+ 275.11966 155.4
[M+H-H2O]+ 219.15376 147.5
[M+HCOO]- 281.15470 174.2
[M+CH3COO]- 295.17035 166.6
[M+Na-2H]- 257.13117 160.4
[M]+ 236.15595 151.2
[M]- 236.15705 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