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]+ 286.21654 173.2
[M+Na]+ 308.19848 179.0
[M-H]- 284.20198 175.0
[M+NH4]+ 303.24308 187.3
[M+K]+ 324.17242 174.1
[M+H-H2O]+ 268.20652 159.5
[M+HCOO]- 330.20746 189.8
[M+CH3COO]- 344.22311 214.0
[M+Na-2H]- 306.18393 173.6
[M]+ 285.20871 170.7
[M]- 285.20981 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.