CID 3068811

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

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CCN(CC1)C2CC3=CC=CC=C3OC2
InChI
InChI=1S/C14H19NO/c1-4-8-15(9-5-1)13-10-12-6-2-3-7-14(12)16-11-13/h2-3,6-7,13H,1,4-5,8-11H2
InChIKey
MRSVLLCCMXNJPJ-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 149.1
[M+Na]+ 240.135888 153.0
[M-H]- 216.139394 154.2
[M+NH4]+ 235.180493 165.2
[M+K]+ 256.109828 150.7
[M+H-H2O]+ 200.143930 140.5
[M+HCOO]- 262.144871 164.0
[M+CH3COO]- 276.160521 159.8
[M+Na-2H]- 238.121336 155.1
[M]+ 217.14612142 142.5
[M]- 217.14721858 142.5
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

patents stripe