CID 90792

22497-09-2

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(=O)OC(C)(C)C1CC2CC1C=C2

InChI

InChI=1S/C12H18O2/c1-8(13)14-12(2,3)11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-7H2,1-3H3

InChIKey

ZFKZNKMNPKUCKM-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.13068 Da
Monoisotopic Mass: 2.4
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]+	195.137956	148.3
[M+Na]+	217.119898	155.3
[M-H]-	193.123404	151.3
[M+NH4]+	212.164503	173.2
[M+K]+	233.093838	154.0
[M+H-H2O]+	177.127940	144.8
[M+HCOO]-	239.128881	168.1
[M+CH3COO]-	253.144531	184.9
[M+Na-2H]-	215.105346	151.2
[M]+	194.13013142	150.0
[M]-	194.13122858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe