CID 45072277

Tert-butyl 4-(3-aminoazetidin-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CC(C2)N
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)15-6-4-11(5-7-15)16-8-10(14)9-16/h10-11H,4-9,14H2,1-3H3
InChIKey
MJQSIWHNAGIFTI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.19467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20195 165.0
[M+Na]+ 278.18389 167.1
[M-H]- 254.18739 167.1
[M+NH4]+ 273.22849 172.2
[M+K]+ 294.15783 169.0
[M+H-H2O]+ 238.19193 151.4
[M+HCOO]- 300.19287 177.8
[M+CH3COO]- 314.20852 200.0
[M+Na-2H]- 276.16934 164.9
[M]+ 255.19412 168.5
[M]- 255.19522 168.5
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

patents stripe