CID 5460032

L-erythrulose

Structural Information

Molecular Formula
C4H8O4
SMILES
C([C@@H](C(=O)CO)O)O
InChI
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
InChIKey
UQPHVQVXLPRNCX-VKHMYHEASA-N
Compound name
(3S)-1,3,4-trihydroxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

289
References

25540
Patents

120.04226 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.049536 122.7
[M+Na]+ 143.031478 129.2
[M-H]- 119.034984 119.1
[M+NH4]+ 138.076083 142.8
[M+K]+ 159.005418 128.9
[M+H-H2O]+ 103.039520 118.8
[M+HCOO]- 165.040461 141.7
[M+CH3COO]- 179.056111 162.1
[M+Na-2H]- 141.016926 126.6
[M]+ 120.04171142 121.2
[M]- 120.04280858 121.2
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