CID 3021558

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

Structural Information

Molecular Formula
C13H12N2
SMILES
C1CC(=CC2=CC=CC=C21)N3C=CN=C3
InChI
InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
InChIKey
DHUCLDOIXQGVDQ-UHFFFAOYSA-N
Compound name
1-(3,4-dihydronaphthalen-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

196.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10733 141.8
[M+Na]+ 219.08927 150.3
[M-H]- 195.09277 146.7
[M+NH4]+ 214.13387 161.1
[M+K]+ 235.06321 145.9
[M+H-H2O]+ 179.09731 133.3
[M+HCOO]- 241.09825 163.2
[M+CH3COO]- 255.11390 154.8
[M+Na-2H]- 217.07472 149.0
[M]+ 196.09950 140.1
[M]- 196.10060 140.1
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