CID 39546

Brn 1250290

Structural Information

Molecular Formula
C19H31NO
SMILES
CC1(C2CCC(C2)(C1(CC#CCN3CCCCC3)O)C)C
InChI
InChI=1S/C19H31NO/c1-17(2)16-9-11-18(3,15-16)19(17,21)10-5-8-14-20-12-6-4-7-13-20/h16,21H,4,6-7,9-15H2,1-3H3
InChIKey
SFAKAJJMWNPZKN-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-(4-piperidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 168.4
[M+Na]+ 312.22979 175.9
[M+NH4]+ 307.27439 176.9
[M+K]+ 328.20373 164.4
[M-H]- 288.23329 161.5
[M+Na-2H]- 310.21524 169.9
[M]+ 289.24002 166.9
[M]- 289.24112 166.9
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.