CID 97669

16929-60-5

Structural Information

Molecular Formula
C17H20O5
SMILES
COC1=CC=CC=C1OCC(COC2=CC=CC=C2OC)O
InChI
InChI=1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3
InChIKey
SSNCGCIXFDVLFP-UHFFFAOYSA-N
Compound name
1,3-bis(2-methoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

304.13107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 169.6
[M+Na]+ 327.12029 175.5
[M-H]- 303.12379 174.7
[M+NH4]+ 322.16489 183.5
[M+K]+ 343.09423 173.6
[M+H-H2O]+ 287.12833 161.3
[M+HCOO]- 349.12927 191.4
[M+CH3COO]- 363.14492 201.8
[M+Na-2H]- 325.10574 173.0
[M]+ 304.13052 175.1
[M]- 304.13162 175.1
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

patents stripe