CID 202004

Hc 1508

Structural Information

Molecular Formula
C12H16O4
SMILES
COC1=CC=CC=C1OCC2(COC2)CO
InChI
InChI=1S/C12H16O4/c1-14-10-4-2-3-5-11(10)16-9-12(6-13)7-15-8-12/h2-5,13H,6-9H2,1H3
InChIKey
WWPKQGLFXUDUSX-UHFFFAOYSA-N
Compound name
[3-[(2-methoxyphenoxy)methyl]oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 143.7
[M+Na]+ 247.094078 149.3
[M-H]- 223.097584 149.6
[M+NH4]+ 242.138683 155.4
[M+K]+ 263.068018 152.3
[M+H-H2O]+ 207.102120 133.0
[M+HCOO]- 269.103061 164.0
[M+CH3COO]- 283.118711 188.0
[M+Na-2H]- 245.079526 151.1
[M]+ 224.10431142 155.6
[M]- 224.10540858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.