CID 10489834

Thalictroidine

Structural Information

Molecular Formula
C14H19NO2
SMILES
CN1CCCCC1CC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3
InChIKey
DZUIOQIFAIDHJH-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.4
[M+Na]+ 256.13081 159.3
[M-H]- 232.13431 157.6
[M+NH4]+ 251.17541 170.0
[M+K]+ 272.10475 156.0
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 171.3
[M+CH3COO]- 292.15544 189.5
[M+Na-2H]- 254.11626 156.5
[M]+ 233.14104 150.2
[M]- 233.14214 150.2
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