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]+ 244.133206 153.9
[M+Na]+ 266.115148 161.6
[M-H]- 242.118654 160.5
[M+NH4]+ 261.159753 169.7
[M+K]+ 282.089088 158.7
[M+H-H2O]+ 226.123190 145.5
[M+HCOO]- 288.124131 171.8
[M+CH3COO]- 302.139781 166.0
[M+Na-2H]- 264.100596 160.1
[M]+ 243.12538142 152.2
[M]- 243.12647858 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.