CID 6454894

64445-72-3

Structural Information

Molecular Formula
C9H14O5
SMILES
C1C(O1)COCCC(=O)OCC2CO2
InChI
InChI=1S/C9H14O5/c10-9(14-6-8-5-13-8)1-2-11-3-7-4-12-7/h7-8H,1-6H2
InChIKey
OOZIORGGHDGCLG-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 154.3
[M+Na]+ 225.073338 161.3
[M-H]- 201.076844 162.6
[M+NH4]+ 220.117943 160.0
[M+K]+ 241.047278 163.0
[M+H-H2O]+ 185.081380 147.3
[M+HCOO]- 247.082321 172.5
[M+CH3COO]- 261.097971 195.1
[M+Na-2H]- 223.058786 158.9
[M]+ 202.08357142 164.0
[M]- 202.08466858 164.0
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

No patent data available for this compound.