CID 165717

111-38-6

Structural Information

Molecular Formula
C5H8O2
SMILES
C=COCOC=C
InChI
InChI=1S/C5H8O2/c1-3-6-5-7-4-2/h3-4H,1-2,5H2
InChIKey
DFFZYNIDEOOVAU-UHFFFAOYSA-N
Compound name
ethenoxymethoxyethene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

963
Patents

100.05243 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 116.7
[M+Na]+ 123.04165 124.9
[M-H]- 99.045154 117.2
[M+NH4]+ 118.08625 140.0
[M+K]+ 139.01559 124.8
[M+H-H2O]+ 83.049690 112.6
[M+HCOO]- 145.05063 141.7
[M+CH3COO]- 159.06628 166.3
[M+Na-2H]- 121.02710 124.5
[M]+ 100.05188 119.2
[M]- 100.05298 119.2
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