CID 156886294

Lithium(1+) 2-{6-[(tert-butoxy)carbonyl]-2,6-diazaspiro[3.3]heptan-2-yl}acetate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)CC(=O)O
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)18-10(17)14-7-12(8-14)5-13(6-12)4-9(15)16/h4-8H2,1-3H3,(H,15,16)
InChIKey
CGVOEIRMMKYOQD-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.1423 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.3
[M+Na]+ 279.13152 161.8
[M-H]- 255.13502 160.3
[M+NH4]+ 274.17612 161.9
[M+K]+ 295.10546 167.1
[M+H-H2O]+ 239.13956 144.5
[M+HCOO]- 301.14050 170.3
[M+CH3COO]- 315.15615 202.8
[M+Na-2H]- 277.11697 160.9
[M]+ 256.14175 175.6
[M]- 256.14285 175.6
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