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]+ 173.080836 134.3
[M+Na]+ 195.062778 141.7
[M-H]- 171.066284 137.8
[M+NH4]+ 190.107383 155.0
[M+K]+ 211.036718 142.9
[M+H-H2O]+ 155.070820 130.9
[M+HCOO]- 217.071761 153.8
[M+CH3COO]- 231.087411 174.0
[M+Na-2H]- 193.048226 139.9
[M]+ 172.07301142 135.4
[M]- 172.07410858 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