CID 23290786

219996-49-3

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-13(2,3)20-12(19)16-10-14-4-7-15(8-5-14,9-6-14)11(17)18/h4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
ZTXFFJDDDPLMAH-UHFFFAOYSA-N
Compound name
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

283.17834 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 171.6
[M+Na]+ 306.16756 173.5
[M-H]- 282.17106 165.8
[M+NH4]+ 301.21216 194.3
[M+K]+ 322.14150 172.2
[M+H-H2O]+ 266.17560 168.1
[M+HCOO]- 328.17654 178.2
[M+CH3COO]- 342.19219 202.7
[M+Na-2H]- 304.15301 181.7
[M]+ 283.17779 173.3
[M]- 283.17889 173.3
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

patents stripe