CID 3068802

1-((3,4-dihydro-2h-1-benzopyran-3-yl)methyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCN(CC1)CC2CC3=CC=CC=C3OC2
InChI
InChI=1S/C15H21NO/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13/h2-3,6-7,13H,1,4-5,8-12H2
InChIKey
WRUHCYKQNSETCB-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 153.7
[M+Na]+ 254.151528 157.1
[M-H]- 230.155034 158.6
[M+NH4]+ 249.196133 169.2
[M+K]+ 270.125468 154.6
[M+H-H2O]+ 214.159570 144.8
[M+HCOO]- 276.160511 168.3
[M+CH3COO]- 290.176161 163.9
[M+Na-2H]- 252.136976 159.1
[M]+ 231.16176142 147.4
[M]- 231.16285858 147.4
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.