CID 25324054

1638972-42-5

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CC(C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-7-9-4-10(8-15)6-11(5-9)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11?
InChIKey
IHFGMUIRMCCXCJ-ZACCUICWSA-N
Compound name
(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 163.5
[M+Na]+ 292.15194 167.1
[M-H]- 268.15544 162.4
[M+NH4]+ 287.19654 179.5
[M+K]+ 308.12588 165.9
[M+H-H2O]+ 252.15998 157.9
[M+HCOO]- 314.16092 173.5
[M+CH3COO]- 328.17657 196.1
[M+Na-2H]- 290.13739 165.4
[M]+ 269.16217 160.7
[M]- 269.16327 160.7
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.