CID 110758

6056-35-5

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

C1C2CC(C1C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H14O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2

InChIKey

RMHYEJKELLBHSV-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enyl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 198.10446 Da
Monoisotopic Mass: 3.0
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]+	199.111736	145.6
[M+Na]+	221.093678	152.7
[M-H]-	197.097184	151.9
[M+NH4]+	216.138283	169.8
[M+K]+	237.067618	149.2
[M+H-H2O]+	181.101720	140.3
[M+HCOO]-	243.102661	167.8
[M+CH3COO]-	257.118311	159.1
[M+Na-2H]-	219.079126	148.4
[M]+	198.10391142	144.7
[M]-	198.10500858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe