CID 162511

42370-06-9

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(=O)C1C2CC(C1(C)C)C=C2

InChI

InChI=1S/C11H16O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h4-5,8-10H,6H2,1-3H3

InChIKey

SCWUMJVMCMYITJ-UHFFFAOYSA-N

Compound name

1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 56
Patents: 164.12012 Da
Monoisotopic Mass: 2.2
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]+	165.12740	137.2
[M+Na]+	187.10934	146.8
[M+NH4]+	182.15394	148.3
[M+K]+	203.08328	142.5
[M-H]-	163.11284	137.8
[M+Na-2H]-	185.09479	140.4
[M]+	164.11957	138.7
[M]-	164.12067	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe