CID 121552521

2-(2-phenylethoxy)propan-1-ol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(CO)OCCC1=CC=CC=C1
InChI
InChI=1S/C11H16O2/c1-10(9-12)13-8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKey
RFDCOTSKXUXSCX-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.7
[M+Na]+ 203.10426 146.6
[M-H]- 179.10776 142.6
[M+NH4]+ 198.14886 160.0
[M+K]+ 219.07820 144.8
[M+H-H2O]+ 163.11230 134.8
[M+HCOO]- 225.11324 162.6
[M+CH3COO]- 239.12889 179.6
[M+Na-2H]- 201.08971 146.1
[M]+ 180.11449 141.7
[M]- 180.11559 141.7
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

No patent data available for this compound.