CID 165762756

2302426-51-1

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=NC=CN2C)N
InChI
InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-7-12(13,8-16)9-14-5-6-15(9)4/h5-6H,7-8,13H2,1-4H3
InChIKey
FJNYOXMOJBMBAH-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(1-methylimidazol-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 162.8
[M+Na]+ 275.14785 168.8
[M-H]- 251.15135 165.4
[M+NH4]+ 270.19245 172.9
[M+K]+ 291.12179 170.4
[M+H-H2O]+ 235.15589 150.5
[M+HCOO]- 297.15683 179.6
[M+CH3COO]- 311.17248 198.1
[M+Na-2H]- 273.13330 164.9
[M]+ 252.15808 171.6
[M]- 252.15918 171.6
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.