CID 33510

2,3-dihydroxypropyl acetate

Structural Information

Molecular Formula
C5H10O4
SMILES
CC(=O)OCC(CO)O
InChI
InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3
InChIKey
KMZHZAAOEWVPSE-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

22
References

32707
Patents

134.0579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 126.6
[M+Na]+ 157.04712 133.2
[M-H]- 133.05062 124.4
[M+NH4]+ 152.09172 147.0
[M+K]+ 173.02106 133.6
[M+H-H2O]+ 117.05516 122.4
[M+HCOO]- 179.05610 146.9
[M+CH3COO]- 193.07175 167.0
[M+Na-2H]- 155.03257 130.6
[M]+ 134.05735 127.4
[M]- 134.05845 127.4
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