CID 73553659

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

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CNC2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-6-4-10(5-7-15)11-8-14-9-11/h10-11,14H,4-9H2,1-3H3
InChIKey
FYSIMLVTGVEINH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(azetidin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 159.5
[M+Na]+ 263.172998 161.5
[M-H]- 239.176504 160.6
[M+NH4]+ 258.217603 167.2
[M+K]+ 279.146938 162.8
[M+H-H2O]+ 223.181040 146.7
[M+HCOO]- 285.181981 170.7
[M+CH3COO]- 299.197631 192.1
[M+Na-2H]- 261.158446 160.5
[M]+ 240.18323142 162.7
[M]- 240.18432858 162.7
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