CID 204735

16801-19-7

Structural Information

Molecular Formula
C7H12O3
SMILES
C=COCCOCC1CO1
InChI
InChI=1S/C7H12O3/c1-2-8-3-4-9-5-7-6-10-7/h2,7H,1,3-6H2
InChIKey
ZOJIBRUWYLWNRB-UHFFFAOYSA-N
Compound name
2-(2-ethenoxyethoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 131.0
[M+Na]+ 167.067858 140.2
[M-H]- 143.071364 136.3
[M+NH4]+ 162.112463 146.5
[M+K]+ 183.041798 140.1
[M+H-H2O]+ 127.075900 124.8
[M+HCOO]- 189.076841 154.6
[M+CH3COO]- 203.092491 177.2
[M+Na-2H]- 165.053306 139.1
[M]+ 144.07809142 138.1
[M]- 144.07918858 138.1
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