CID 137935310

2248272-51-5

Structural Information

Molecular Formula
C16H27NO5
SMILES
CC1(C2(CCC(O1)(CC2)CNC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C16H27NO5/c1-13(2,3)21-12(20)17-10-15-6-8-16(9-7-15,11(18)19)14(4,5)22-15/h6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKey
RLXMCIYFQSPLPX-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 171.4
[M+Na]+ 336.17815 176.3
[M+NH4]+ 331.22275 182.0
[M+K]+ 352.15209 168.0
[M-H]- 312.18165 167.4
[M+Na-2H]- 334.16360 169.7
[M]+ 313.18838 171.1
[M]- 313.18948 171.1
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.