CID 139022599

2344679-32-7

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C(CC12CCC2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-8(9(14)15)7-12(13)5-4-6-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DWYATAKAQIZUJQ-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 156.4
[M-H]- 240.12413 156.2
[M+NH4]+ 259.16523 158.2
[M+K]+ 280.09457 161.7
[M+H-H2O]+ 224.12867 140.0
[M+HCOO]- 286.12961 166.0
[M+CH3COO]- 300.14526 200.4
[M+Na-2H]- 262.10608 155.6
[M]+ 241.13086 169.7
[M]- 241.13196 169.7
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.