CID 39548

Brn 1248464

Structural Information

Molecular Formula
C19H31NO
SMILES
CC1(C2CCC1(C(C2)(CC#CCN3CCCCC3)O)C)C
InChI
InChI=1S/C19H31NO/c1-17(2)16-9-11-18(17,3)19(21,15-16)10-5-8-14-20-12-6-4-7-13-20/h16,21H,4,6-7,9-15H2,1-3H3
InChIKey
VYQAOVJMXKFGJK-UHFFFAOYSA-N
Compound name
1,7,7-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]+ 290.247846 173.3
[M+Na]+ 312.229788 183.1
[M-H]- 288.233294 174.6
[M+NH4]+ 307.274393 195.6
[M+K]+ 328.203728 171.7
[M+H-H2O]+ 272.237830 162.0
[M+HCOO]- 334.238771 181.8
[M+CH3COO]- 348.254421 181.8
[M+Na-2H]- 310.215236 172.8
[M]+ 289.24002142 164.5
[M]- 289.24111858 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.