CID 61909

901-44-0

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10132
Patents

316.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.174726 176.3
[M+Na]+ 339.156668 181.7
[M-H]- 315.160174 179.9
[M+NH4]+ 334.201273 189.3
[M+K]+ 355.130608 177.9
[M+H-H2O]+ 299.164710 168.6
[M+HCOO]- 361.165651 195.1
[M+CH3COO]- 375.181301 202.9
[M+Na-2H]- 337.142116 180.2
[M]+ 316.16690142 179.4
[M]- 316.16799858 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe