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]+ 206.15395 148.7
[M+Na]+ 228.13589 154.0
[M-H]- 204.13939 151.9
[M+NH4]+ 223.18049 167.4
[M+K]+ 244.10983 151.9
[M+H-H2O]+ 188.14393 142.6
[M+HCOO]- 250.14487 170.8
[M+CH3COO]- 264.16052 190.6
[M+Na-2H]- 226.12134 154.5
[M]+ 205.14612 148.9
[M]- 205.14722 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.