CID 121604237

1858455-72-7

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2CCC1CC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-14(11(16)17)8-9-4-6-10(14)7-5-9/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
GHLYNICOBXOOBS-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 165.8
[M+Na]+ 292.15194 167.8
[M-H]- 268.15544 160.3
[M+NH4]+ 287.19654 187.4
[M+K]+ 308.12588 166.8
[M+H-H2O]+ 252.15998 162.5
[M+HCOO]- 314.16092 172.9
[M+CH3COO]- 328.17657 201.3
[M+Na-2H]- 290.13739 174.8
[M]+ 269.16217 167.2
[M]- 269.16327 167.2
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.