CID 3072330

Brn 4905644

Structural Information

Molecular Formula
C13H19NO2
SMILES
CN(CCCC(=O)C1=CC=CC=C1)CCO
InChI
InChI=1S/C13H19NO2/c1-14(10-11-15)9-5-8-13(16)12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKey
UTWWXUIOUMVPNU-UHFFFAOYSA-N
Compound name
4-[2-hydroxyethyl(methyl)amino]-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.5
[M+Na]+ 244.13081 162.8
[M+NH4]+ 239.17541 159.9
[M+K]+ 260.10475 156.7
[M-H]- 220.13431 154.3
[M+Na-2H]- 242.11626 158.1
[M]+ 221.14104 154.3
[M]- 221.14214 154.3
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.