CID 76889

4-phenyl-1-butanol

Structural Information

Molecular Formula
C10H14O
SMILES
C1=CC=C(C=C1)CCCCO
InChI
InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey
LDZLXQFDGRCELX-UHFFFAOYSA-N
Compound name
4-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

5442
Patents

150.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.4
[M+Na]+ 173.09368 145.3
[M+NH4]+ 168.13828 141.7
[M+K]+ 189.06762 137.7
[M-H]- 149.09718 134.9
[M+Na-2H]- 171.07913 140.0
[M]+ 150.10391 135.0
[M]- 150.10501 135.0
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