CID 21156084

72845-78-4

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1C=C(CCC1C(OC)OC)C

InChI

InChI=1S/C11H20O2/c1-8-5-6-10(9(2)7-8)11(12-3)13-4/h7,9-11H,5-6H2,1-4H3

InChIKey

OIZNJBIUUHUFAI-UHFFFAOYSA-N

Compound name

4-(dimethoxymethyl)-1,3-dimethylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.14633 Da
Monoisotopic Mass: 2.1
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]+	185.153606	142.0
[M+Na]+	207.135548	148.1
[M-H]-	183.139054	145.4
[M+NH4]+	202.180153	162.4
[M+K]+	223.109488	147.8
[M+H-H2O]+	167.143590	136.5
[M+HCOO]-	229.144531	162.5
[M+CH3COO]-	243.160181	185.3
[M+Na-2H]-	205.120996	144.7
[M]+	184.14578142	142.9
[M]-	184.14687858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe