CID 11217234

1910-47-0

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-/m1/s1
InChIKey
DBXBTMSZEOQQDU-GSVOUGTGSA-N
Compound name
(2R)-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

literature stripe

Patent stripe

patents stripe