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]+ 284.18562 170.4
[M+Na]+ 306.16756 172.0
[M-H]- 282.17106 164.6
[M+NH4]+ 301.21216 191.5
[M+K]+ 322.14150 170.8
[M+H-H2O]+ 266.17560 166.9
[M+HCOO]- 328.17654 177.1
[M+CH3COO]- 342.19219 204.2
[M+Na-2H]- 304.15301 178.9
[M]+ 283.17779 172.1
[M]- 283.17889 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.