CID 53302325

2-{3-[(tert-butoxy)carbonyl]-3-azaspiro[5.5]undecan-9-yl}acetic acid

Structural Information

Molecular Formula
C17H29NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)CC(=O)O)CC1
InChI
InChI=1S/C17H29NO4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)6-4-13(5-7-17)12-14(19)20/h13H,4-12H2,1-3H3,(H,19,20)
InChIKey
SKPPKBVHYIOFPC-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

311.20966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21694 176.4
[M+Na]+ 334.19888 178.1
[M-H]- 310.20238 177.3
[M+NH4]+ 329.24348 190.9
[M+K]+ 350.17282 176.6
[M+H-H2O]+ 294.20692 170.0
[M+HCOO]- 356.20786 185.8
[M+CH3COO]- 370.22351 201.1
[M+Na-2H]- 332.18433 176.6
[M]+ 311.20911 170.6
[M]- 311.21021 170.6
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