CID 165917276

2386441-80-9

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC12CCCCC(C1)(C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14-7-5-4-6-13(8-14,9-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
NKTUDUAICQEDTO-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.1.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 151.3
[M+Na]+ 292.15194 149.7
[M+NH4]+ 287.19654 154.9
[M+K]+ 308.12588 149.2
[M-H]- 268.15544 145.3
[M+Na-2H]- 290.13739 149.0
[M]+ 269.16217 148.5
[M]- 269.16327 148.5
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.