CID 57363834

230975-30-1

Structural Information

Molecular Formula
C21H28O5
SMILES
COCCC1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)CCOC)O
InChI
InChI=1S/C21H28O5/c1-23-13-11-17-3-7-20(8-4-17)25-15-19(22)16-26-21-9-5-18(6-10-21)12-14-24-2/h3-10,19,22H,11-16H2,1-2H3
InChIKey
JHRIEMFHIZBBOY-UHFFFAOYSA-N
Compound name
1,3-bis[4-(2-methoxyethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

360.19366 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20094 188.0
[M+Na]+ 383.18288 192.0
[M-H]- 359.18638 192.3
[M+NH4]+ 378.22748 199.5
[M+K]+ 399.15682 189.3
[M+H-H2O]+ 343.19092 178.7
[M+HCOO]- 405.19186 208.4
[M+CH3COO]- 419.20751 213.6
[M+Na-2H]- 381.16833 189.2
[M]+ 360.19311 194.8
[M]- 360.19421 194.8
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