CID 27706

2,3-dimethyl-6-piperidinomethyl-chromone hydrochloride

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN3CCCCC3)C
InChI
InChI=1S/C17H21NO2/c1-12-13(2)20-16-7-6-14(10-15(16)17(12)19)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKey
JNLKAAADNKSWKA-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 163.5
[M+Na]+ 294.14645 171.2
[M-H]- 270.14995 170.0
[M+NH4]+ 289.19105 178.4
[M+K]+ 310.12039 167.8
[M+H-H2O]+ 254.15449 154.8
[M+HCOO]- 316.15543 180.6
[M+CH3COO]- 330.17108 174.9
[M+Na-2H]- 292.13190 167.7
[M]+ 271.15668 162.8
[M]- 271.15778 162.8
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.