CID 222536

1,1-ethanediol, 1,1-diacetate

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(OC(=O)C)OC(=O)C
InChI
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
InChIKey
ACKALUBLCWJVNB-UHFFFAOYSA-N
Compound name
1-acetyloxyethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

124
References

1362
Patents

146.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 127.8
[M+Na]+ 169.04712 135.1
[M-H]- 145.05062 128.5
[M+NH4]+ 164.09172 149.2
[M+K]+ 185.02106 137.0
[M+H-H2O]+ 129.05516 123.3
[M+HCOO]- 191.05610 150.1
[M+CH3COO]- 205.07175 174.6
[M+Na-2H]- 167.03257 131.3
[M]+ 146.05735 131.5
[M]- 146.05845 131.5
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