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]+ 218.15395 149.1
[M+Na]+ 240.13589 153.0
[M-H]- 216.13939 154.2
[M+NH4]+ 235.18049 165.2
[M+K]+ 256.10983 150.7
[M+H-H2O]+ 200.14393 140.5
[M+HCOO]- 262.14487 164.0
[M+CH3COO]- 276.16052 159.8
[M+Na-2H]- 238.12134 155.1
[M]+ 217.14612 142.5
[M]- 217.14722 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