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]+ 232.16959 153.7
[M+Na]+ 254.15153 157.1
[M-H]- 230.15503 158.6
[M+NH4]+ 249.19613 169.2
[M+K]+ 270.12547 154.6
[M+H-H2O]+ 214.15957 144.8
[M+HCOO]- 276.16051 168.3
[M+CH3COO]- 290.17616 163.9
[M+Na-2H]- 252.13698 159.1
[M]+ 231.16176 147.4
[M]- 231.16286 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.