CID 165464035

2770358-72-8

Structural Information

Molecular Formula
C17H27NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C17H27NO4/c1-15(2,3)22-14(21)18-6-4-12(5-7-18)8-16-9-17(10-16,11-16)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)
InChIKey
YCNXBBISXWJTOF-UHFFFAOYSA-N
Compound name
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20128 193.4
[M+Na]+ 332.18322 192.8
[M-H]- 308.18672 194.9
[M+NH4]+ 327.22782 193.2
[M+K]+ 348.15716 199.0
[M+H-H2O]+ 292.19126 178.4
[M+HCOO]- 354.19220 197.6
[M+CH3COO]- 368.20785 224.7
[M+Na-2H]- 330.16867 193.9
[M]+ 309.19345 216.0
[M]- 309.19455 216.0
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.