CID 165463857

2770358-68-2

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C15H23NO4/c1-13(2,3)20-12(19)16-5-4-10(6-16)14-7-15(8-14,9-14)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)
InChIKey
NEWRGXXZVWDIEX-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]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 184.4
[M+Na]+ 304.151938 184.5
[M-H]- 280.155444 186.8
[M+NH4]+ 299.196543 186.4
[M+K]+ 320.125878 190.3
[M+H-H2O]+ 264.159980 171.2
[M+HCOO]- 326.160921 190.8
[M+CH3COO]- 340.176571 220.0
[M+Na-2H]- 302.137386 184.9
[M]+ 281.16217142 208.1
[M]- 281.16326858 208.1
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.