CID 154814342

2-{[(tert-butoxy)carbonyl]amino}-6-methoxyspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CC(C2)OC)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-12(2,3)20-11(18)15-14(10(16)17)7-13(8-14)5-9(6-13)19-4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
JETQSLDZKJOBDS-UHFFFAOYSA-N
Compound name
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 179.8
[M+Na]+ 308.14684 176.8
[M+NH4]+ 303.19144 179.1
[M+K]+ 324.12078 174.8
[M-H]- 284.15034 173.2
[M+Na-2H]- 306.13229 177.4
[M]+ 285.15707 175.2
[M]- 285.15817 175.2
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.