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 163.1
[M+Na]+ 294.14645 168.6
[M-H]- 270.14995 164.8
[M+NH4]+ 289.19105 174.0
[M+K]+ 310.12039 163.8
[M+H-H2O]+ 254.15449 148.2
[M+HCOO]- 316.15543 173.5
[M+CH3COO]- 330.17108 204.3
[M+Na-2H]- 292.13190 164.3
[M]+ 271.15668 155.0
[M]- 271.15778 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.