CID 111992

10027-06-2

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C=CC(=O)OC1CC2CCC1C2

InChI

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

InChIKey

IQYMRQZTDOLQHC-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 512
Patents: 166.09938 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]+	167.10666	139.4
[M+Na]+	189.08860	146.0
[M-H]-	165.09210	142.0
[M+NH4]+	184.13320	165.0
[M+K]+	205.06254	144.3
[M+H-H2O]+	149.09664	135.3
[M+HCOO]-	211.09758	160.1
[M+CH3COO]-	225.11323	178.2
[M+Na-2H]-	187.07405	141.3
[M]+	166.09883	138.6
[M]-	166.09993	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe