CID 71630747

2-[(tert-butoxy)carbonyl]-2-azaspiro[4.4]nonane-7-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-7-6-14(9-15)5-4-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
UPMUUSOZLRERIU-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 165.7
[M+Na]+ 292.151938 170.3
[M-H]- 268.155444 168.2
[M+NH4]+ 287.196543 185.8
[M+K]+ 308.125878 169.3
[M+H-H2O]+ 252.159980 161.3
[M+HCOO]- 314.160921 180.6
[M+CH3COO]- 328.176571 191.4
[M+Na-2H]- 290.137386 164.8
[M]+ 269.16217142 163.2
[M]- 269.16326858 163.2
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