CID 239427

10471-24-6

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=O)OCC1CC2CC1C=C2

InChI

InChI=1S/C10H14O2/c1-7(11)12-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,4-6H2,1H3

InChIKey

JHPLUQZQEHCSIP-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 399
Patents: 166.09938 Da
Monoisotopic Mass: 1.8
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]+	167.106656	138.6
[M+Na]+	189.088598	146.0
[M-H]-	165.092104	141.6
[M+NH4]+	184.133203	164.4
[M+K]+	205.062538	144.7
[M+H-H2O]+	149.096640	134.5
[M+HCOO]-	211.097581	160.6
[M+CH3COO]-	225.113231	178.6
[M+Na-2H]-	187.074046	141.6
[M]+	166.09883142	140.0
[M]-	166.09992858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe