CID 122588803

2020070-00-0

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C16H25NO4/c1-14(2,3)21-13(20)17-6-4-11(5-7-17)15-8-16(9-15,10-15)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKey
LKGBJQWYSKVMKC-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

295.17834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 189.4
[M+Na]+ 318.167558 189.2
[M-H]- 294.171064 191.1
[M+NH4]+ 313.212163 189.7
[M+K]+ 334.141498 195.5
[M+H-H2O]+ 278.175600 174.5
[M+HCOO]- 340.176541 193.9
[M+CH3COO]- 354.192191 222.6
[M+Na-2H]- 316.153006 190.4
[M]+ 295.17779142 211.8
[M]- 295.17888858 211.8
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

patents stripe