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

12
Patents

256.1423 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 159.3
[M+Na]+ 279.131518 161.8
[M-H]- 255.135024 160.3
[M+NH4]+ 274.176123 161.9
[M+K]+ 295.105458 167.1
[M+H-H2O]+ 239.139560 144.5
[M+HCOO]- 301.140501 170.3
[M+CH3COO]- 315.156151 202.8
[M+Na-2H]- 277.116966 160.9
[M]+ 256.14175142 175.6
[M]- 256.14284858 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