CID 121207766

1823981-11-8

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNCC2C(=O)O
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-6-12(7-14)5-13-4-8(12)9(15)16/h8,13H,4-7H2,1-3H3,(H,15,16)
InChIKey
CJLPPRCRWGZAHJ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.1423 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 162.0
[M+Na]+ 279.13152 165.5
[M-H]- 255.13502 161.9
[M+NH4]+ 274.17612 172.3
[M+K]+ 295.10546 167.1
[M+H-H2O]+ 239.13956 151.9
[M+HCOO]- 301.14050 173.5
[M+CH3COO]- 315.15615 190.5
[M+Na-2H]- 277.11697 162.5
[M]+ 256.14175 167.6
[M]- 256.14285 167.6
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