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]+ 282.17000 184.4
[M+Na]+ 304.15194 184.5
[M-H]- 280.15544 186.8
[M+NH4]+ 299.19654 186.4
[M+K]+ 320.12588 190.3
[M+H-H2O]+ 264.15998 171.2
[M+HCOO]- 326.16092 190.8
[M+CH3COO]- 340.17657 220.0
[M+Na-2H]- 302.13739 184.9
[M]+ 281.16217 208.1
[M]- 281.16327 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.