CID 26113

13561-08-5

Structural Information

Molecular Formula
C15H18O4
SMILES
C1C(O1)CC2=C(C(=CC=C2)CC3CO3)OCC4CO4
InChI
InChI=1S/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2
InChIKey
PPEASEWKOGNDKZ-UHFFFAOYSA-N
Compound name
2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

927
Patents

262.1205 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 173.3
[M+Na]+ 285.109718 177.1
[M-H]- 261.113224 184.2
[M+NH4]+ 280.154323 170.8
[M+K]+ 301.083658 181.3
[M+H-H2O]+ 245.117760 166.7
[M+HCOO]- 307.118701 186.2
[M+CH3COO]- 321.134351 179.4
[M+Na-2H]- 283.095166 174.3
[M]+ 262.11995142 181.1
[M]- 262.12104858 181.1
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