CID 23563702

2089572-87-0

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

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

InChI

InChI=1S/C8H12O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+/t6-/m0/s1

InChIKey

VBSCJZLLOKWPEK-YUDCMIJISA-N

Compound name

(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 172.07356 Da
Monoisotopic Mass: 0.3
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]+	173.08084	135.9
[M+Na]+	195.06278	144.7
[M+NH4]+	190.10738	143.7
[M+K]+	211.03672	141.7
[M-H]-	171.06628	137.3
[M+Na-2H]-	193.04823	138.6
[M]+	172.07301	137.4
[M]-	172.07411	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe