CID 206420

Brn 1247700

Structural Information

Molecular Formula
C19H33NO
SMILES
C[C@@H]1CC[C@H]([C@](C1)(CC#CCN2CCCCC2)O)C(C)C
InChI
InChI=1S/C19H33NO/c1-16(2)18-10-9-17(3)15-19(18,21)11-5-8-14-20-12-6-4-7-13-20/h16-18,21H,4,6-7,9-15H2,1-3H3/t17-,18+,19-/m1/s1
InChIKey
SSZHOUTUOZMYHF-CEXWTWQISA-N
Compound name
(1S,2S,5R)-5-methyl-1-(4-piperidin-1-ylbut-2-ynyl)-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.25623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 172.3
[M+Na]+ 314.24545 177.0
[M-H]- 290.24895 172.7
[M+NH4]+ 309.29005 186.0
[M+K]+ 330.21939 170.0
[M+H-H2O]+ 274.25349 159.3
[M+HCOO]- 336.25443 178.6
[M+CH3COO]- 350.27008 207.0
[M+Na-2H]- 312.23090 169.9
[M]+ 291.25568 159.9
[M]- 291.25678 159.9
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

No patent data available for this compound.