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

21
Patents

295.17834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 189.4
[M+Na]+ 318.16756 189.2
[M-H]- 294.17106 191.1
[M+NH4]+ 313.21216 189.7
[M+K]+ 334.14150 195.5
[M+H-H2O]+ 278.17560 174.5
[M+HCOO]- 340.17654 193.9
[M+CH3COO]- 354.19219 222.6
[M+Na-2H]- 316.15301 190.4
[M]+ 295.17779 211.8
[M]- 295.17889 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