CID 27202

2-morpholinomethyl-5-hexynophenone hydrochloride

Structural Information

Molecular Formula
C17H21NO2
SMILES
C#CCCC(CN1CCOCC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-2-3-7-16(14-18-10-12-20-13-11-18)17(19)15-8-5-4-6-9-15/h1,4-6,8-9,16H,3,7,10-14H2
InChIKey
PHNHTFAKDUPJOR-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-1-phenylhex-5-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 168.1
[M+Na]+ 294.14645 179.2
[M+NH4]+ 289.19105 171.8
[M+K]+ 310.12039 169.4
[M-H]- 270.14995 163.7
[M+Na-2H]- 292.13190 170.4
[M]+ 271.15668 167.5
[M]- 271.15778 167.5
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.