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

25
Patents

172.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 134.3
[M+Na]+ 195.06278 141.7
[M-H]- 171.06628 137.8
[M+NH4]+ 190.10738 155.0
[M+K]+ 211.03672 142.9
[M+H-H2O]+ 155.07082 130.9
[M+HCOO]- 217.07176 153.8
[M+CH3COO]- 231.08741 174.0
[M+Na-2H]- 193.04823 139.9
[M]+ 172.07301 135.4
[M]- 172.07411 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe