CID 18366117

275387-83-2

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O
InChI
InChI=1S/C12H19NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4/h1,15H,6-9H2,2-4H3
InChIKey
SHEYWYIIXFHSNB-UHFFFAOYSA-N
Compound name
tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 152.9
[M+Na]+ 248.12571 160.9
[M-H]- 224.12921 152.4
[M+NH4]+ 243.17031 169.2
[M+K]+ 264.09965 157.9
[M+H-H2O]+ 208.13375 142.1
[M+HCOO]- 270.13469 163.0
[M+CH3COO]- 284.15034 192.7
[M+Na-2H]- 246.11116 155.7
[M]+ 225.13594 145.6
[M]- 225.13704 145.6
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

patents stripe