CID 379388

Nsc663930

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1(CC(CC(N1O)(C)C)C#CC2=CC=CC=C2)C
InChI
InChI=1S/C17H23NO/c1-16(2)12-15(13-17(3,4)18(16)19)11-10-14-8-6-5-7-9-14/h5-9,15,19H,12-13H2,1-4H3
InChIKey
LQOQNTKCACWVLS-UHFFFAOYSA-N
Compound name
1-hydroxy-2,2,6,6-tetramethyl-4-(2-phenylethynyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 161.6
[M+Na]+ 280.16720 171.9
[M-H]- 256.17070 164.0
[M+NH4]+ 275.21180 178.9
[M+K]+ 296.14114 164.4
[M+H-H2O]+ 240.17524 149.4
[M+HCOO]- 302.17618 173.3
[M+CH3COO]- 316.19183 200.6
[M+Na-2H]- 278.15265 164.1
[M]+ 257.17743 153.7
[M]- 257.17853 153.7
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.