CID 12998

Diethylene glycol divinyl ether

Structural Information

Molecular Formula
C8H14O3
SMILES
C=COCCOCCOC=C
InChI
InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2
InChIKey
SAMJGBVVQUEMGC-UHFFFAOYSA-N
Compound name
1-ethenoxy-2-(2-ethenoxyethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

19905
Patents

158.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.5
[M+Na]+ 181.08352 140.5
[M-H]- 157.08702 133.5
[M+NH4]+ 176.12812 154.5
[M+K]+ 197.05746 140.0
[M+H-H2O]+ 141.09156 128.5
[M+HCOO]- 203.09250 157.8
[M+CH3COO]- 217.10815 177.4
[M+Na-2H]- 179.06897 139.7
[M]+ 158.09375 138.6
[M]- 158.09485 138.6
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