CID 259712

(r)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(OC[C@@H](O1)C=O)C

InChI

InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m0/s1

InChIKey

YSGPYVWACGYQDJ-YFKPBYRVSA-N

Compound name

(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1191
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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]+	131.070266	121.4
[M+Na]+	153.052208	130.0
[M-H]-	129.055714	126.6
[M+NH4]+	148.096813	144.7
[M+K]+	169.026148	132.4
[M+H-H2O]+	113.060250	118.1
[M+HCOO]-	175.061191	143.7
[M+CH3COO]-	189.076841	169.0
[M+Na-2H]-	151.037656	129.8
[M]+	130.06244142	123.6
[M]-	130.06353858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe