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]+ 282.17000 191.9
[M+Na]+ 304.15194 191.5
[M-H]- 280.15544 194.2
[M+NH4]+ 299.19654 188.2
[M+K]+ 320.12588 198.2
[M+H-H2O]+ 264.15998 177.0
[M+HCOO]- 326.16092 196.0
[M+CH3COO]- 340.17657 235.1
[M+Na-2H]- 302.13739 190.9
[M]+ 281.16217 217.4
[M]- 281.16327 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.