CID 45072429

889953-58-6

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CC(C2)C(=O)O
InChI
InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-6-4-11(5-7-15)16-8-10(9-16)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKey
PJUNYYOGPCHSBI-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 171.0
[M+Na]+ 307.16282 173.7
[M+NH4]+ 302.20742 171.5
[M+K]+ 323.13676 173.1
[M-H]- 283.16632 166.7
[M+Na-2H]- 305.14827 169.4
[M]+ 284.17305 168.5
[M]- 284.17415 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

literature stripe

Patent stripe

No patent data available for this compound.