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

29
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.