CID 53993785

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 136.1
[M+Na]+ 186.088938 142.0
[M-H]- 162.092444 139.1
[M+NH4]+ 181.133543 156.0
[M+K]+ 202.062878 140.3
[M+H-H2O]+ 146.096980 130.1
[M+HCOO]- 208.097921 159.2
[M+CH3COO]- 222.113571 181.3
[M+Na-2H]- 184.074386 140.5
[M]+ 163.09917142 134.1
[M]- 163.10026858 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