CID 5475325

4-((dimethylamino)methyl)-1-phenyl-1-nonen-3-one hydrochloride

Structural Information

Molecular Formula
C18H27NO
SMILES
CCCCCC(CN(C)C)C(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C18H27NO/c1-4-5-7-12-17(15-19(2)3)18(20)14-13-16-10-8-6-9-11-16/h6,8-11,13-14,17H,4-5,7,12,15H2,1-3H3/b14-13+
InChIKey
PLLUWURRMCKOHR-BUHFOSPRSA-N
Compound name
(E)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 171.5
[M+Na]+ 296.19848 174.4
[M-H]- 272.20198 175.0
[M+NH4]+ 291.24308 187.8
[M+K]+ 312.17242 171.9
[M+H-H2O]+ 256.20652 163.7
[M+HCOO]- 318.20746 193.2
[M+CH3COO]- 332.22311 208.1
[M+Na-2H]- 294.18393 171.8
[M]+ 273.20871 173.8
[M]- 273.20981 173.8
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.