CID 177786911

Tert-butyl 6-(prop-2-yn-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CC#C
InChI
InChI=1S/C14H21NO2/c1-5-6-11-7-14(8-11)9-15(10-14)12(16)17-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKey
KZAZRRGVKFZUKK-UHFFFAOYSA-N
Compound name
tert-butyl 6-prop-2-ynyl-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 145.0
[M+Na]+ 258.14645 150.3
[M-H]- 234.14995 147.7
[M+NH4]+ 253.19105 150.3
[M+K]+ 274.12039 154.9
[M+H-H2O]+ 218.15449 127.4
[M+HCOO]- 280.15543 154.8
[M+CH3COO]- 294.17108 208.6
[M+Na-2H]- 256.13190 147.7
[M]+ 235.15668 155.3
[M]- 235.15778 155.3
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.