CID 146143430

2384984-90-9

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(O2)CC(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13(8-14)5-4-9(18-13)6-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
OBBWWCDAEAQQAD-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.4]octan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 160.0
[M+Na]+ 294.131188 163.3
[M-H]- 270.134694 163.0
[M+NH4]+ 289.175793 170.4
[M+K]+ 310.105128 167.1
[M+H-H2O]+ 254.139230 150.7
[M+HCOO]- 316.140171 173.3
[M+CH3COO]- 330.155821 195.2
[M+Na-2H]- 292.116636 161.9
[M]+ 271.14142142 169.3
[M]- 271.14251858 169.3
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.