CID 100070

2851-82-3

Structural Information

Molecular Formula
C12H14O4
SMILES
C1C(O1)COC2=CC=CC=C2OCC3CO3
InChI
InChI=1S/C12H14O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h1-4,9-10H,5-8H2
InChIKey
NKANYVMWDXJHLE-UHFFFAOYSA-N
Compound name
2-[[2-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1394
Patents

222.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 154.8
[M+Na]+ 245.078418 162.6
[M-H]- 221.081924 165.7
[M+NH4]+ 240.123023 159.9
[M+K]+ 261.052358 164.2
[M+H-H2O]+ 205.086460 147.5
[M+HCOO]- 267.087401 174.6
[M+CH3COO]- 281.103051 198.6
[M+Na-2H]- 243.063866 160.7
[M]+ 222.08865142 163.3
[M]- 222.08974858 163.3
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