CID 17804479

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1h-imidazole

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC(C2=CC=CC=C2C1)C3=NC=CN3
InChI
InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
InChIKey
BLXFHJKHZWXNDP-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

198.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 144.9
[M+Na]+ 221.10491 158.6
[M+NH4]+ 216.14951 154.7
[M+K]+ 237.07885 152.3
[M-H]- 197.10841 148.8
[M+Na-2H]- 219.09036 152.9
[M]+ 198.11514 147.9
[M]- 198.11624 147.9
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