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]+ 179.10666 135.7
[M+Na]+ 201.08860 143.7
[M-H]- 177.09210 142.6
[M+NH4]+ 196.13320 149.0
[M+K]+ 217.06254 142.3
[M+H-H2O]+ 161.09664 129.1
[M+HCOO]- 223.09758 157.3
[M+CH3COO]- 237.11323 181.5
[M+Na-2H]- 199.07405 142.9
[M]+ 178.09883 138.6
[M]- 178.09993 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.