CID 440873

26543-05-5

Structural Information

Molecular Formula
C4H8O3
SMILES
C[C@@H](CO)C(=O)O
InChI
InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
DBXBTMSZEOQQDU-VKHMYHEASA-N
Compound name
(2S)-3-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

101
References

12782
Patents

104.04734 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.054616 119.1
[M+Na]+ 127.036558 126.2
[M-H]- 103.040064 117.1
[M+NH4]+ 122.081163 140.7
[M+K]+ 143.010498 126.3
[M+H-H2O]+ 87.044600 115.4
[M+HCOO]- 149.045541 139.5
[M+CH3COO]- 163.061191 162.5
[M+Na-2H]- 125.022006 123.7
[M]+ 104.04679142 118.2
[M]- 104.04788858 118.2
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.