CID 92515

2-((4-(2-methoxyethyl)phenoxy)methyl)oxirane

Structural Information

Molecular Formula
C12H16O3
SMILES
COCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3
InChIKey
UEOWFGJMGUIGHC-UHFFFAOYSA-N
Compound name
2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

124
Patents

208.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 144.9
[M+Na]+ 231.09916 154.0
[M-H]- 207.10266 153.2
[M+NH4]+ 226.14376 158.0
[M+K]+ 247.07310 153.1
[M+H-H2O]+ 191.10720 137.7
[M+HCOO]- 253.10814 168.6
[M+CH3COO]- 267.12379 189.1
[M+Na-2H]- 229.08461 152.3
[M]+ 208.10939 152.3
[M]- 208.11049 152.3
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