CID 165463669

2138148-69-1

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#C)N
InChI
InChI=1S/C10H16N2O2/c1-5-10(11)6-12(7-10)8(13)14-9(2,3)4/h1H,6-7,11H2,2-4H3
InChIKey
XOJUDLDWDQGEFK-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-ethynylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.12119 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 146.2
[M+Na]+ 219.11041 153.2
[M-H]- 195.11391 147.0
[M+NH4]+ 214.15501 157.9
[M+K]+ 235.08435 155.8
[M+H-H2O]+ 179.11845 131.1
[M+HCOO]- 241.11939 159.1
[M+CH3COO]- 255.13504 195.8
[M+Na-2H]- 217.09586 149.2
[M]+ 196.12064 148.1
[M]- 196.12174 148.1
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.