CID 106713

67392-15-8

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(C)C12CCC(C=C1)(C(C2)C(=O)OC)C

InChI

InChI=1S/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3

InChIKey

NXAJZPARDMDLKH-UHFFFAOYSA-N

Compound name

methyl 1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 222.16199 Da
Monoisotopic Mass: 3.9
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]+	223.169266	157.2
[M+Na]+	245.151208	162.0
[M-H]-	221.154714	154.0
[M+NH4]+	240.195813	183.8
[M+K]+	261.125148	159.9
[M+H-H2O]+	205.159250	152.6
[M+HCOO]-	267.160191	167.2
[M+CH3COO]-	281.175841	195.7
[M+Na-2H]-	243.136656	166.0
[M]+	222.16144142	160.7
[M]-	222.16253858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe