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

987
Patents

262.1205 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 173.3
[M+Na]+ 285.10972 177.1
[M-H]- 261.11322 184.2
[M+NH4]+ 280.15432 170.8
[M+K]+ 301.08366 181.3
[M+H-H2O]+ 245.11776 166.7
[M+HCOO]- 307.11870 186.2
[M+CH3COO]- 321.13435 179.4
[M+Na-2H]- 283.09517 174.3
[M]+ 262.11995 181.1
[M]- 262.12105 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