CID 1516507

Tert-butyl 3-aminoazetidine-1-carboxylate

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5,9H2,1-3H3
InChIKey
WPGLRFGDZJSQGI-UHFFFAOYSA-N
Compound name
tert-butyl 3-aminoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3618
Patents

172.12119 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 141.7
[M+Na]+ 195.11041 146.7
[M-H]- 171.11391 143.4
[M+NH4]+ 190.15501 154.0
[M+K]+ 211.08435 149.9
[M+H-H2O]+ 155.11845 130.6
[M+HCOO]- 217.11939 160.2
[M+CH3COO]- 231.13504 184.7
[M+Na-2H]- 193.09586 145.0
[M]+ 172.12064 149.2
[M]- 172.12174 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe