CID 170917651

Tert-butyl (4s)-6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1(CC2(C1)CCN2C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C14H21NO2/c1-6-13(5)9-14(10-13)7-8-15(14)11(16)17-12(2,3)4/h1H,7-10H2,2-5H3
InChIKey
JFJJZUSLJFHAQM-UHFFFAOYSA-N
Compound name
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 147.9
[M+Na]+ 258.146448 154.2
[M-H]- 234.149954 151.1
[M+NH4]+ 253.191053 154.9
[M+K]+ 274.120388 158.1
[M+H-H2O]+ 218.154490 131.9
[M+HCOO]- 280.155431 157.7
[M+CH3COO]- 294.171081 208.4
[M+Na-2H]- 256.131896 151.4
[M]+ 235.15668142 158.6
[M]- 235.15777858 158.6
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

No patent data available for this compound.