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

6401
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 132.3
[M+Na]+ 173.09368 138.8
[M-H]- 149.09718 134.2
[M+NH4]+ 168.13828 152.9
[M+K]+ 189.06762 136.3
[M+H-H2O]+ 133.10172 126.8
[M+HCOO]- 195.10266 155.3
[M+CH3COO]- 209.11831 173.8
[M+Na-2H]- 171.07913 139.6
[M]+ 150.10391 132.1
[M]- 150.10501 132.1
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