CID 54304

78886-61-0

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

C1CCC2=C(C1)C=CC=C2C(=O)CN3C=CN=C3

InChI

InChI=1S/C15H16N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7-9,11H,1-2,4,6,10H2

InChIKey

GWTYDYIPAFPLMT-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 240.12627 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.133546	155.3
[M+Na]+	263.115488	161.6
[M-H]-	239.118994	159.5
[M+NH4]+	258.160093	172.3
[M+K]+	279.089428	157.3
[M+H-H2O]+	223.123530	146.3
[M+HCOO]-	285.124471	173.8
[M+CH3COO]-	299.140121	166.5
[M+Na-2H]-	261.100936	159.0
[M]+	240.12572142	152.8
[M]-	240.12681858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe