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]+ 180.138286 142.6
[M+Na]+ 202.120228 147.3
[M-H]- 178.123734 143.9
[M+NH4]+ 197.164833 161.2
[M+K]+ 218.094168 145.1
[M+H-H2O]+ 162.128270 136.5
[M+HCOO]- 224.129211 163.6
[M+CH3COO]- 238.144861 182.7
[M+Na-2H]- 200.105676 145.9
[M]+ 179.13046142 139.7
[M]- 179.13155858 139.7
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.