CID 71756048

5-amino-4-phenylpentan-2-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(CC(CN)C1=CC=CC=C1)O
InChI
InChI=1S/C11H17NO/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3
InChIKey
QYQVQEZLGDQAMY-UHFFFAOYSA-N
Compound name
5-amino-4-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.9
[M+Na]+ 202.12023 152.2
[M+NH4]+ 197.16483 150.0
[M+K]+ 218.09417 146.6
[M-H]- 178.12373 143.9
[M+Na-2H]- 200.10568 147.5
[M]+ 179.13046 143.7
[M]- 179.13156 143.7
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

No patent data available for this compound.