CID 118113975

Tert-butyl 3-ethynyl-3-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1(CCCN(C1)C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C13H21NO2/c1-6-13(5)8-7-9-14(10-13)11(15)16-12(2,3)4/h1H,7-10H2,2-5H3
InChIKey
AQKMTUKKGVVLHC-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

223.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.4
[M+Na]+ 246.146448 160.6
[M-H]- 222.149954 153.1
[M+NH4]+ 241.191053 169.6
[M+K]+ 262.120388 157.5
[M+H-H2O]+ 206.154490 141.3
[M+HCOO]- 268.155431 163.4
[M+CH3COO]- 282.171081 195.9
[M+Na-2H]- 244.131896 155.2
[M]+ 223.15668142 145.9
[M]- 223.15777858 145.9
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

patents stripe