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]+ 272.164506 163.1
[M+Na]+ 294.146448 168.6
[M-H]- 270.149954 164.8
[M+NH4]+ 289.191053 174.0
[M+K]+ 310.120388 163.8
[M+H-H2O]+ 254.154490 148.2
[M+HCOO]- 316.155431 173.5
[M+CH3COO]- 330.171081 204.3
[M+Na-2H]- 292.131896 164.3
[M]+ 271.15668142 155.0
[M]- 271.15777858 155.0
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.