CID 16205868

93919-04-1

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CCCC(=O)OC1CC(CC=C1C)C(=C)C

InChI

InChI=1S/C14H22O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7,12-13H,2,5-6,8-9H2,1,3-4H3

InChIKey

NFYWZJFDZXGDJZ-UHFFFAOYSA-N

Compound name

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.16199 Da
Monoisotopic Mass: 3.5
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]+	223.16927	153.9
[M+Na]+	245.15121	164.3
[M+NH4]+	240.19581	161.3
[M+K]+	261.12515	158.3
[M-H]-	221.15471	154.9
[M+Na-2H]-	243.13666	157.3
[M]+	222.16144	155.4
[M]-	222.16254	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe