CID 170910796

Tert-butyl 3-(3-aminoazetidine-1-carbonyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)N2CC(C2)N
InChI
InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-4-8(5-15)10(16)14-6-9(13)7-14/h8-9H,4-7,13H2,1-3H3
InChIKey
SMFVDOWJJNINCO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminoazetidine-1-carbonyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 162.7
[M+Na]+ 278.14752 164.1
[M-H]- 254.15102 165.0
[M+NH4]+ 273.19212 163.3
[M+K]+ 294.12146 169.8
[M+H-H2O]+ 238.15556 144.9
[M+HCOO]- 300.15650 175.0
[M+CH3COO]- 314.17215 207.6
[M+Na-2H]- 276.13297 161.3
[M]+ 255.15775 176.9
[M]- 255.15885 176.9
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.