CID 25405

Bis(3,4-epoxybutyl) ether

Structural Information

Molecular Formula
C8H14O3
SMILES
C1C(O1)CCOCCC2CO2
InChI
InChI=1S/C8H14O3/c1(7-5-10-7)3-9-4-2-8-6-11-8/h7-8H,1-6H2
InChIKey
CMZHETMDWDVBCX-UHFFFAOYSA-N
Compound name
2-[2-[2-(oxiran-2-yl)ethoxy]ethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 144.9
[M+Na]+ 181.083518 152.4
[M-H]- 157.087024 153.4
[M+NH4]+ 176.128123 152.3
[M+K]+ 197.057458 154.3
[M+H-H2O]+ 141.091560 138.0
[M+HCOO]- 203.092501 164.0
[M+CH3COO]- 217.108151 189.7
[M+Na-2H]- 179.068966 151.2
[M]+ 158.09375142 152.9
[M]- 158.09484858 152.9
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