CID 7586

101-90-6

Structural Information

Molecular Formula
C12H14O4
SMILES
C1C(O1)COC2=CC(=CC=C2)OCC3CO3
InChI
InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
InChIKey
WPYCRFCQABTEKC-UHFFFAOYSA-N
Compound name
2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

12657
Patents

222.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 154.8
[M+Na]+ 245.07842 162.6
[M-H]- 221.08192 165.7
[M+NH4]+ 240.12302 159.9
[M+K]+ 261.05236 164.2
[M+H-H2O]+ 205.08646 147.5
[M+HCOO]- 267.08740 174.6
[M+CH3COO]- 281.10305 198.6
[M+Na-2H]- 243.06387 160.7
[M]+ 222.08865 163.3
[M]- 222.08975 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