CID 62669694

1-(2-phenoxyethyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1CC1(CCOC2=CC=CC=C2)O
InChI
InChI=1S/C11H14O2/c12-11(6-7-11)8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
AKVYVGIXRROCNZ-UHFFFAOYSA-N
Compound name
1-(2-phenoxyethyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.7
[M+Na]+ 201.088598 146.5
[M-H]- 177.092104 144.1
[M+NH4]+ 196.133203 154.1
[M+K]+ 217.062538 144.4
[M+H-H2O]+ 161.096640 132.1
[M+HCOO]- 223.097581 160.8
[M+CH3COO]- 237.113231 180.3
[M+Na-2H]- 199.074046 145.9
[M]+ 178.09883142 140.9
[M]- 178.09992858 140.9
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

patents stripe