CID 6326324

(2s)-2-(acetyloxy)propanoic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
C[C@@H](C(=O)O)OC(=O)C
InChI
InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
InChIKey
WTLNOANVTIKPEE-VKHMYHEASA-N
Compound name
(2S)-2-acetyloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

77
References

8337
Patents

132.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 123.9
[M+Na]+ 155.03147 131.1
[M-H]- 131.03497 123.3
[M+NH4]+ 150.07607 145.1
[M+K]+ 171.00541 132.3
[M+H-H2O]+ 115.03951 119.8
[M+HCOO]- 177.04045 145.0
[M+CH3COO]- 191.05610 169.6
[M+Na-2H]- 153.01692 127.4
[M]+ 132.04170 125.4
[M]- 132.04280 125.4
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.