CID 15753000

2,2-dimethoxyethyl acetate

Structural Information

Molecular Formula
C6H12O4
SMILES
CC(=O)OCC(OC)OC
InChI
InChI=1S/C6H12O4/c1-5(7)10-4-6(8-2)9-3/h6H,4H2,1-3H3
InChIKey
CVFNMMJJZBWXQP-UHFFFAOYSA-N
Compound name
2,2-dimethoxyethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

148.07356 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 129.4
[M+Na]+ 171.062778 136.5
[M-H]- 147.066284 129.9
[M+NH4]+ 166.107383 150.8
[M+K]+ 187.036718 138.6
[M+H-H2O]+ 131.070820 124.7
[M+HCOO]- 193.071761 152.5
[M+CH3COO]- 207.087411 175.3
[M+Na-2H]- 169.048226 134.1
[M]+ 148.07301142 134.5
[M]- 148.07410858 134.5
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