CID 22336781

73275-63-5

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CCOC(=O)OCC1CC2CC1C=C2

InChI

InChI=1S/C11H16O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3

InChIKey

BJVMGUDDQUGAQW-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 196.10994 Da
Monoisotopic Mass: 2.6
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]+	197.117216	146.3
[M+Na]+	219.099158	153.2
[M-H]-	195.102664	149.1
[M+NH4]+	214.143763	170.9
[M+K]+	235.073098	152.2
[M+H-H2O]+	179.107200	141.9
[M+HCOO]-	241.108141	168.2
[M+CH3COO]-	255.123791	183.0
[M+Na-2H]-	217.084606	148.8
[M]+	196.10939142	149.4
[M]-	196.11048858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe