CID 90410

Propiophenone, 2,2-dimethyl-3-ethylamino-, hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CCNC(C)(C)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-4-14-13(2,3)10-12(15)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKey
HZCUPCHEGYQOIO-UHFFFAOYSA-N
Compound name
3-(ethylamino)-3-methyl-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.7
[M+Na]+ 228.135888 154.0
[M-H]- 204.139394 151.9
[M+NH4]+ 223.180493 167.4
[M+K]+ 244.109828 151.9
[M+H-H2O]+ 188.143930 142.6
[M+HCOO]- 250.144871 170.8
[M+CH3COO]- 264.160521 190.6
[M+Na-2H]- 226.121336 154.5
[M]+ 205.14612142 148.9
[M]- 205.14721858 148.9
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.