CID 176472588

2-(hydroxymethyl)-2-(prop-2-enoyloxymethyl)butanoic acid

Structural Information

Molecular Formula
C9H14O5
SMILES
CCC(CO)(COC(=O)C=C)C(=O)O
InChI
InChI=1S/C9H14O5/c1-3-7(11)14-6-9(4-2,5-10)8(12)13/h3,10H,1,4-6H2,2H3,(H,12,13)
InChIKey
POFOFHJDPGOCAN-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-(prop-2-enoyloxymethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 143.6
[M+Na]+ 225.073338 149.4
[M-H]- 201.076844 140.9
[M+NH4]+ 220.117943 161.1
[M+K]+ 241.047278 148.6
[M+H-H2O]+ 185.081380 139.3
[M+HCOO]- 247.082321 161.6
[M+CH3COO]- 261.097971 179.7
[M+Na-2H]- 223.058786 146.6
[M]+ 202.08357142 145.5
[M]- 202.08466858 145.5
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

No patent data available for this compound.