CID 6452087

47310-94-1

Structural Information

Molecular Formula
C19H24O4
SMILES
CC(COC1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(C)O)O
InChI
InChI=1S/C19H24O4/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21/h3-10,14-15,20-21H,11-13H2,1-2H3
InChIKey
BUTHHJITGFIWHH-UHFFFAOYSA-N
Compound name
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

316.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17473 176.3
[M+Na]+ 339.15667 180.7
[M-H]- 315.16017 179.8
[M+NH4]+ 334.20127 189.1
[M+K]+ 355.13061 177.5
[M+H-H2O]+ 299.16471 168.3
[M+HCOO]- 361.16565 194.8
[M+CH3COO]- 375.18130 204.2
[M+Na-2H]- 337.14212 176.9
[M]+ 316.16690 178.7
[M]- 316.16800 178.7
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