CID 72207287

1363381-18-3

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(CC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-14(9-15)6-4-10(5-7-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
CGBNTOUUTCHHQO-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

269.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 164.0
[M+Na]+ 292.151938 166.6
[M-H]- 268.155444 165.8
[M+NH4]+ 287.196543 174.0
[M+K]+ 308.125878 169.0
[M+H-H2O]+ 252.159980 153.5
[M+HCOO]- 314.160921 175.6
[M+CH3COO]- 328.176571 196.4
[M+Na-2H]- 290.137386 165.4
[M]+ 269.16217142 169.7
[M]- 269.16326858 169.7
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

patents stripe