CID 2774076

2-{[(4-methoxyphenyl)methoxy]methyl}oxirane

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC=C(C=C1)COCC2CO2
InChI
InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3
InChIKey
QWWVSLBMMUDNTB-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

194.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.6
[M+Na]+ 217.083518 150.0
[M-H]- 193.087024 149.0
[M+NH4]+ 212.128123 154.2
[M+K]+ 233.057458 149.4
[M+H-H2O]+ 177.091560 133.5
[M+HCOO]- 239.092501 164.6
[M+CH3COO]- 253.108151 186.2
[M+Na-2H]- 215.068966 148.4
[M]+ 194.09375142 147.6
[M]- 194.09484858 147.6
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