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 173.3
[M+Na]+ 312.22979 183.1
[M-H]- 288.23329 174.6
[M+NH4]+ 307.27439 195.6
[M+K]+ 328.20373 171.7
[M+H-H2O]+ 272.23783 162.0
[M+HCOO]- 334.23877 181.8
[M+CH3COO]- 348.25442 181.8
[M+Na-2H]- 310.21524 172.8
[M]+ 289.24002 164.5
[M]- 289.24112 164.5
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.