CID 54594744

9-{[(tert-butoxy)carbonyl]amino}bicyclo[3.3.1]nonane-3-carboxylic acid

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)NC1C2CCCC1CC(C2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12-9-5-4-6-10(12)8-11(7-9)13(17)18/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
YGDCHKAYXVYYEQ-UHFFFAOYSA-N
Compound name
9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 165.1
[M+Na]+ 306.16756 171.1
[M+NH4]+ 301.21216 171.2
[M+K]+ 322.14150 168.0
[M-H]- 282.17106 163.7
[M+Na-2H]- 304.15301 164.3
[M]+ 283.17779 165.0
[M]- 283.17889 165.0
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.