CID 409315

3-amino-4-phenylbutan-2-one hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3
InChIKey
RTUDQBPZFFIRAD-UHFFFAOYSA-N
Compound name
3-amino-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 136.2
[M+Na]+ 186.08894 147.3
[M+NH4]+ 181.13354 144.5
[M+K]+ 202.06288 141.6
[M-H]- 162.09244 138.5
[M+Na-2H]- 184.07439 142.6
[M]+ 163.09917 138.2
[M]- 163.10027 138.2
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