CID 13290671

1-amino-3-phenylpropan-2-one hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1=CC=C(C=C1)CC(=O)CN
InChI
InChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKey
GIGLHOJHLDZPTD-UHFFFAOYSA-N
Compound name
1-amino-3-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

199
Patents

149.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.0
[M+Na]+ 172.07328 137.5
[M-H]- 148.07678 134.0
[M+NH4]+ 167.11788 151.5
[M+K]+ 188.04722 135.6
[M+H-H2O]+ 132.08132 125.1
[M+HCOO]- 194.08226 155.4
[M+CH3COO]- 208.09791 177.4
[M+Na-2H]- 170.05873 137.2
[M]+ 149.08351 129.2
[M]- 149.08461 129.2
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