CID 130849444

1934376-95-0

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CCC2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(5-4-6-12)8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
FRSPPYSMLXGIMM-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 165.2
[M+Na]+ 264.12063 163.9
[M+NH4]+ 259.16523 163.9
[M+K]+ 280.09457 163.4
[M-H]- 240.12413 158.4
[M+Na-2H]- 262.10608 162.5
[M]+ 241.13086 160.7
[M]- 241.13196 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe