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]+ 197.128466 146.2
[M+Na]+ 219.110408 153.2
[M-H]- 195.113914 147.0
[M+NH4]+ 214.155013 157.9
[M+K]+ 235.084348 155.8
[M+H-H2O]+ 179.118450 131.1
[M+HCOO]- 241.119391 159.1
[M+CH3COO]- 255.135041 195.8
[M+Na-2H]- 217.095856 149.2
[M]+ 196.12064142 148.1
[M]- 196.12173858 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.