CID 112032

10375-00-5

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(=C)C(=O)OCC1CC2CCC1C2

InChI

InChI=1S/C12H18O2/c1-8(2)12(13)14-7-11-6-9-3-4-10(11)5-9/h9-11H,1,3-7H2,2H3

InChIKey

LTZJEGMQCRHIKJ-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanylmethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 360
Patents: 194.13068 Da
Monoisotopic Mass: 3.4
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]+	195.13796	149.5
[M+Na]+	217.11990	155.0
[M-H]-	193.12340	151.8
[M+NH4]+	212.16450	173.9
[M+K]+	233.09384	153.2
[M+H-H2O]+	177.12794	145.3
[M+HCOO]-	239.12888	168.5
[M+CH3COO]-	253.14453	185.0
[M+Na-2H]-	215.10535	149.2
[M]+	194.13013	148.8
[M]-	194.13123	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe