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]+ 225.11214 143.7
[M+Na]+ 247.09408 149.3
[M-H]- 223.09758 149.6
[M+NH4]+ 242.13868 155.4
[M+K]+ 263.06802 152.3
[M+H-H2O]+ 207.10212 133.0
[M+HCOO]- 269.10306 164.0
[M+CH3COO]- 283.11871 188.0
[M+Na-2H]- 245.07953 151.1
[M]+ 224.10431 155.6
[M]- 224.10541 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.