CID 178188307

Tert-butyl 4-[(1-methylazetidin-3-yl)amino]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2CN(C2)C
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-7-5-11(6-8-17)15-12-9-16(4)10-12/h11-12,15H,5-10H2,1-4H3
InChIKey
KMDXCDRMIHWUBU-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(1-methylazetidin-3-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.217606 168.5
[M+Na]+ 292.199548 170.2
[M-H]- 268.203054 170.9
[M+NH4]+ 287.244153 175.5
[M+K]+ 308.173488 172.2
[M+H-H2O]+ 252.207590 154.8
[M+HCOO]- 314.208531 181.6
[M+CH3COO]- 328.224181 203.5
[M+Na-2H]- 290.184996 169.0
[M]+ 269.20978142 173.4
[M]- 269.21087858 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.