CID 10877796

51575-61-2

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

C/C(=C\C1OCC(CO1)(C)C)/C=O

InChI

InChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,9H,6-7H2,1-3H3/b8-4+

InChIKey

IKGLKDCWHOWCMD-XBXARRHUSA-N

Compound name

(E)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 184.10994 Da
Monoisotopic Mass: 1.2
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]+	185.117216	139.5
[M+Na]+	207.099158	145.8
[M-H]-	183.102664	144.1
[M+NH4]+	202.143763	158.8
[M+K]+	223.073098	147.3
[M+H-H2O]+	167.107200	135.0
[M+HCOO]-	229.108141	157.7
[M+CH3COO]-	243.123791	180.9
[M+Na-2H]-	205.084606	145.7
[M]+	184.10939142	139.7
[M]-	184.11048858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe