CID 71305542

2-{8-[(tert-butoxy)carbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl}acetic acid

Structural Information

Molecular Formula
C15H25NO5
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)CC(=O)O
InChI
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-6-4-15(5-7-16)9-11(10-20-15)8-12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
UARXPRMYUBHIGM-UHFFFAOYSA-N
Compound name
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

299.17328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 170.3
[M+Na]+ 322.16250 173.8
[M-H]- 298.16600 172.8
[M+NH4]+ 317.20710 186.0
[M+K]+ 338.13644 174.0
[M+H-H2O]+ 282.17054 165.1
[M+HCOO]- 344.17148 182.0
[M+CH3COO]- 358.18713 196.9
[M+Na-2H]- 320.14795 171.4
[M]+ 299.17273 168.1
[M]- 299.17383 168.1
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