CID 98461

4-methyl-2-(1-methylethyl)-1,3-dioxolane

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1COC(O1)C(C)C

InChI

InChI=1S/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3

InChIKey

NWXXKKDLGZLEGH-UHFFFAOYSA-N

Compound name

4-methyl-2-propan-2-yl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 59
Patents: 130.09938 Da
Monoisotopic Mass: 1.6
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]+	131.106656	127.5
[M+Na]+	153.088598	134.4
[M-H]-	129.092104	132.3
[M+NH4]+	148.133203	148.9
[M+K]+	169.062538	136.9
[M+H-H2O]+	113.096640	123.3
[M+HCOO]-	175.097581	148.1
[M+CH3COO]-	189.113231	172.2
[M+Na-2H]-	151.074046	132.7
[M]+	130.09883142	128.3
[M]-	130.09992858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe