CID 3021558

89781-63-5

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 142.9
[M+Na]+ 219.08927 158.1
[M+NH4]+ 214.13387 153.1
[M+K]+ 235.06321 151.3
[M-H]- 195.09277 147.5
[M+Na-2H]- 217.07472 152.4
[M]+ 196.09950 146.5
[M]- 196.10060 146.5
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