CID 3053446

Brn 0221708

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC1=C(C(=O)C2=CC=CC=C2O1)N3CCCCC3
InChI
InChI=1S/C15H17NO2/c1-11-14(16-9-5-2-6-10-16)15(17)12-7-3-4-8-13(12)18-11/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
DZIHCPZHCBCEOU-UHFFFAOYSA-N
Compound name
2-methyl-3-piperidin-1-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 153.9
[M+Na]+ 266.11515 161.6
[M-H]- 242.11865 160.5
[M+NH4]+ 261.15975 169.7
[M+K]+ 282.08909 158.7
[M+H-H2O]+ 226.12319 145.5
[M+HCOO]- 288.12413 171.8
[M+CH3COO]- 302.13978 166.0
[M+Na-2H]- 264.10060 160.1
[M]+ 243.12538 152.2
[M]- 243.12648 152.2
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.