CID 219683

4-phenoxybutan-1-ol

Structural Information

Molecular Formula
C10H14O2
SMILES
C1=CC=C(C=C1)OCCCCO
InChI
InChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey
OYQUCYCSSADEIC-UHFFFAOYSA-N
Compound name
4-phenoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

665
Patents

166.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.7
[M+Na]+ 189.08860 148.0
[M+NH4]+ 184.13320 144.3
[M+K]+ 205.06254 141.0
[M-H]- 165.09210 137.6
[M+Na-2H]- 187.07405 142.8
[M]+ 166.09883 137.9
[M]- 166.09993 137.9
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