CID 95542

2-phenylbutan-1-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC(CO)C1=CC=CC=C1
InChI
InChI=1S/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
InChIKey
DNHNBMQCHKKDNI-UHFFFAOYSA-N
Compound name
2-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

844
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.7
[M+Na]+ 173.09368 145.2
[M+NH4]+ 168.13828 141.8
[M+K]+ 189.06762 138.5
[M-H]- 149.09718 135.0
[M+Na-2H]- 171.07913 139.9
[M]+ 150.10391 135.1
[M]- 150.10501 135.1
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