CID 137838547

3-(oxiran-2-yl)-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1C(O1)CCC(C2=CC=CC=C2)O
InChI
InChI=1S/C11H14O2/c12-11(7-6-10-8-13-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
LEPCIFRJHUUARG-UHFFFAOYSA-N
Compound name
3-(oxiran-2-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 135.7
[M+Na]+ 201.088598 143.7
[M-H]- 177.092104 142.6
[M+NH4]+ 196.133203 149.0
[M+K]+ 217.062538 142.3
[M+H-H2O]+ 161.096640 129.1
[M+HCOO]- 223.097581 157.3
[M+CH3COO]- 237.113231 181.5
[M+Na-2H]- 199.074046 142.9
[M]+ 178.09883142 138.6
[M]- 178.09992858 138.6
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.