CID 12764930

2-amino-1-phenylbutan-1-one hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
CCC(C(=O)C1=CC=CC=C1)N
InChI
InChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKey
SHBYDSJVZCGXOZ-UHFFFAOYSA-N
Compound name
2-amino-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

163.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 136.1
[M+Na]+ 186.08894 142.0
[M-H]- 162.09244 139.1
[M+NH4]+ 181.13354 156.0
[M+K]+ 202.06288 140.3
[M+H-H2O]+ 146.09698 130.1
[M+HCOO]- 208.09792 159.2
[M+CH3COO]- 222.11357 181.3
[M+Na-2H]- 184.07439 140.5
[M]+ 163.09917 134.1
[M]- 163.10027 134.1
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