CID 3072329

Butyrophenone, 4-((2-hydroxypropyl)amino)-

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(CNCCCC(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C13H19NO2/c1-11(15)10-14-9-5-8-13(16)12-6-3-2-4-7-12/h2-4,6-7,11,14-15H,5,8-10H2,1H3
InChIKey
DMDJHXNOSOTNRK-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropylamino)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 153.1
[M+Na]+ 244.13081 157.1
[M-H]- 220.13431 154.5
[M+NH4]+ 239.17541 170.0
[M+K]+ 260.10475 154.6
[M+H-H2O]+ 204.13885 146.3
[M+HCOO]- 266.13979 174.4
[M+CH3COO]- 280.15544 190.5
[M+Na-2H]- 242.11626 156.3
[M]+ 221.14104 152.6
[M]- 221.14214 152.6
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.