CID 3053449

Brn 1253547

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)N3CCCCC3)C
InChI
InChI=1S/C16H19NO2/c1-11-6-7-14-13(10-11)16(18)15(12(2)19-14)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKey
UNTIGDKHVFOGNV-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-piperidin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 158.8
[M+Na]+ 280.130788 166.9
[M-H]- 256.134294 165.6
[M+NH4]+ 275.175393 174.3
[M+K]+ 296.104728 163.8
[M+H-H2O]+ 240.138830 150.3
[M+HCOO]- 302.139771 176.2
[M+CH3COO]- 316.155421 170.7
[M+Na-2H]- 278.116236 163.6
[M]+ 257.14102142 157.7
[M]- 257.14211858 157.7
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.