CID 121504

(+)-sedamine

Structural Information

Molecular Formula
C14H21NO
SMILES
CN1CCCC[C@@H]1C[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKey
GOWRYACIDZSIHI-ZIAGYGMSSA-N
Compound name
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.7
[M+Na]+ 242.15153 156.4
[M-H]- 218.15503 155.5
[M+NH4]+ 237.19613 168.6
[M+K]+ 258.12547 153.1
[M+H-H2O]+ 202.15957 144.9
[M+HCOO]- 264.16051 169.2
[M+CH3COO]- 278.17616 187.1
[M+Na-2H]- 240.13698 155.4
[M]+ 219.16176 147.3
[M]- 219.16286 147.3
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

No patent data available for this compound.