CID 98357

((o-methoxyphenoxy)methyl)oxirane

Structural Information

Molecular Formula
C10H12O3
SMILES
COC1=CC=CC=C1OCC2CO2
InChI
InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3
InChIKey
RJNVSQLNEALZLC-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

835
Patents

180.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.2
[M+Na]+ 203.06786 146.1
[M-H]- 179.07136 144.8
[M+NH4]+ 198.11246 150.4
[M+K]+ 219.04180 145.7
[M+H-H2O]+ 163.07590 129.3
[M+HCOO]- 225.07684 160.5
[M+CH3COO]- 239.09249 183.3
[M+Na-2H]- 201.05331 144.6
[M]+ 180.07809 142.8
[M]- 180.07919 142.8
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