CID 177792001

Tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2CCC(CC2)N
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-9-11(10-17)8-16-6-4-12(15)5-7-16/h11-12H,4-10,15H2,1-3H3
InChIKey
PVUIJCMOZCACMI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.21761 169.5
[M+Na]+ 292.19955 171.2
[M-H]- 268.20305 171.4
[M+NH4]+ 287.24415 176.2
[M+K]+ 308.17349 172.9
[M+H-H2O]+ 252.20759 155.7
[M+HCOO]- 314.20853 182.0
[M+CH3COO]- 328.22418 202.9
[M+Na-2H]- 290.18500 168.9
[M]+ 269.20978 173.4
[M]- 269.21088 173.4
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.