CID 86706

1-ethoxy-3-phenoxy-2-propanol

Structural Information

Molecular Formula
C11H16O3
SMILES
CCOCC(COC1=CC=CC=C1)O
InChI
InChI=1S/C11H16O3/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
InChIKey
TYRUSIJKQXMLLQ-UHFFFAOYSA-N
Compound name
1-ethoxy-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

196.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 143.8
[M+Na]+ 219.099158 149.5
[M-H]- 195.102664 145.6
[M+NH4]+ 214.143763 162.3
[M+K]+ 235.073098 148.3
[M+H-H2O]+ 179.107200 137.6
[M+HCOO]- 241.108141 165.9
[M+CH3COO]- 255.123791 181.6
[M+Na-2H]- 217.084606 149.1
[M]+ 196.10939142 146.2
[M]- 196.11048858 146.2
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