CID 3018522

Schembl8015613

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(=CCOC(=O)C)C(OC)OC
InChI
InChI=1S/C9H16O4/c1-7(9(11-3)12-4)5-6-13-8(2)10/h5,9H,6H2,1-4H3
InChIKey
OHFDXHXDNYMPBW-UHFFFAOYSA-N
Compound name
(4,4-dimethoxy-3-methylbut-2-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

188.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 142.1
[M+Na]+ 211.094078 148.2
[M-H]- 187.097584 142.2
[M+NH4]+ 206.138683 161.9
[M+K]+ 227.068018 149.3
[M+H-H2O]+ 171.102120 137.1
[M+HCOO]- 233.103061 163.4
[M+CH3COO]- 247.118711 183.6
[M+Na-2H]- 209.079526 144.0
[M]+ 188.10431142 146.9
[M]- 188.10540858 146.9
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

patents stripe