CID 137698949

2138140-57-3

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC2CCC1CC2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-15(12(17)18)8-10-4-6-11(15)7-5-10/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
MZQPPDIATYQATE-UHFFFAOYSA-N
Compound name
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 170.4
[M+Na]+ 306.167558 172.0
[M-H]- 282.171064 164.6
[M+NH4]+ 301.212163 191.5
[M+K]+ 322.141498 170.8
[M+H-H2O]+ 266.175600 166.9
[M+HCOO]- 328.176541 177.1
[M+CH3COO]- 342.192191 204.2
[M+Na-2H]- 304.153006 178.9
[M]+ 283.17779142 172.1
[M]- 283.17888858 172.1
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.