CID 12937921

61832-58-4

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=C(C=C(C=C1)C2CCCNC2)OC
InChI
InChI=1S/C13H19NO2/c1-15-12-6-5-10(8-13(12)16-2)11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKey
GFRXXGINNMABOS-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.1
[M+Na]+ 244.13081 156.4
[M-H]- 220.13431 154.4
[M+NH4]+ 239.17541 167.3
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 143.3
[M+HCOO]- 266.13979 169.1
[M+CH3COO]- 280.15544 186.4
[M+Na-2H]- 242.11626 154.8
[M]+ 221.14104 147.8
[M]- 221.14214 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe