CID 105502919

1785534-09-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(CC12CC2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-8(9(14)15)6-12(13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
NGTCKXTUVVBOKW-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 157.6
[M+Na]+ 264.12063 165.8
[M-H]- 240.12413 161.4
[M+NH4]+ 259.16523 172.6
[M+K]+ 280.09457 163.8
[M+H-H2O]+ 224.12867 153.5
[M+HCOO]- 286.12961 173.6
[M+CH3COO]- 300.14526 190.2
[M+Na-2H]- 262.10608 159.8
[M]+ 241.13086 160.4
[M]- 241.13196 160.4
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.