CID 3053078

10-undecynophenone, 11-dimethylamino-

Structural Information

Molecular Formula
C19H27NO
SMILES
CN(C)C#CCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C19H27NO/c1-20(2)17-13-8-6-4-3-5-7-12-16-19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12,16H2,1-2H3
InChIKey
QZSBOQNHVGSMFL-UHFFFAOYSA-N
Compound name
11-(dimethylamino)-1-phenylundec-10-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 173.2
[M+Na]+ 308.198478 179.0
[M-H]- 284.201984 175.0
[M+NH4]+ 303.243083 187.3
[M+K]+ 324.172418 174.1
[M+H-H2O]+ 268.206520 159.5
[M+HCOO]- 330.207461 189.8
[M+CH3COO]- 344.223111 214.0
[M+Na-2H]- 306.183926 173.6
[M]+ 285.20871142 170.7
[M]- 285.20980858 170.7
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.