CID 14107528

228113-75-5

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C

InChI

InChI=1S/C11H16O/c1-7(12)9-5-4-8-6-10(9)11(8,2)3/h5,8,10H,4,6H2,1-3H3/t8-,10-/m0/s1

InChIKey

KVEJFJCLGGIDJP-WPRPVWTQSA-N

Compound name

1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.12012 Da
Monoisotopic Mass: 2.3
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]+	165.127396	148.1
[M+Na]+	187.109338	154.4
[M-H]-	163.112844	147.9
[M+NH4]+	182.153943	168.8
[M+K]+	203.083278	155.3
[M+H-H2O]+	147.117380	140.2
[M+HCOO]-	209.118321	161.7
[M+CH3COO]-	223.133971	189.3
[M+Na-2H]-	185.094786	156.5
[M]+	164.11957142	160.3
[M]-	164.12066858	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.