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]+ 256.201946 165.0
[M+Na]+ 278.183888 167.1
[M-H]- 254.187394 167.1
[M+NH4]+ 273.228493 172.2
[M+K]+ 294.157828 169.0
[M+H-H2O]+ 238.191930 151.4
[M+HCOO]- 300.192871 177.8
[M+CH3COO]- 314.208521 200.0
[M+Na-2H]- 276.169336 164.9
[M]+ 255.19412142 168.5
[M]- 255.19521858 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