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 168.5
[M+Na]+ 307.16282 170.3
[M-H]- 283.16632 169.6
[M+NH4]+ 302.20742 174.1
[M+K]+ 323.13676 172.6
[M+H-H2O]+ 267.17086 155.5
[M+HCOO]- 329.17180 178.7
[M+CH3COO]- 343.18745 200.5
[M+Na-2H]- 305.14827 167.3
[M]+ 284.17305 173.8
[M]- 284.17415 173.8
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.