CID 5352435

Citral dimethyl acetal

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CC(=CCC/C(=C/C(OC)OC)/C)C

InChI

InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+

InChIKey

ZSKAJFSSXURRGL-PKNBQFBNSA-N

Compound name

(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 1785
Patents: 198.16199 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]+	199.16927	150.5
[M+Na]+	221.15121	155.4
[M-H]-	197.15471	150.2
[M+NH4]+	216.19581	170.0
[M+K]+	237.12515	154.8
[M+H-H2O]+	181.15925	145.4
[M+HCOO]-	243.16019	170.4
[M+CH3COO]-	257.17584	188.6
[M+Na-2H]-	219.13666	150.7
[M]+	198.16144	153.5
[M]-	198.16254	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe