CID 125094

2-methylerythritol

Structural Information

Molecular Formula
C5H12O4
SMILES
C[C@@](CO)([C@H](CO)O)O
InChI
InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
HGVJFBSSLICXEM-CRCLSJGQSA-N
Compound name
(2R,3S)-2-methylbutane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

93
Patents

136.07356 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08084 129.0
[M+Na]+ 159.06278 135.0
[M-H]- 135.06628 124.0
[M+NH4]+ 154.10738 148.0
[M+K]+ 175.03672 134.1
[M+H-H2O]+ 119.07082 125.6
[M+HCOO]- 181.07176 145.4
[M+CH3COO]- 195.08741 163.0
[M+Na-2H]- 157.04823 133.8
[M]+ 136.07301 126.9
[M]- 136.07411 126.9
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