CID 165464036

2770359-83-4

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C15H23NO4/c1-13(2,3)20-12(19)16-5-10(6-16)4-14-7-15(8-14,9-14)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKey
WCEQCQFIMWGPMF-UHFFFAOYSA-N
Compound name
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 191.9
[M+Na]+ 304.151938 191.5
[M-H]- 280.155444 194.2
[M+NH4]+ 299.196543 188.2
[M+K]+ 320.125878 198.2
[M+H-H2O]+ 264.159980 177.0
[M+HCOO]- 326.160921 196.0
[M+CH3COO]- 340.176571 235.1
[M+Na-2H]- 302.137386 190.9
[M]+ 281.16217142 217.4
[M]- 281.16326858 217.4
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.