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]+ 286.164896 168.1
[M+Na]+ 308.146838 169.2
[M-H]- 284.150344 171.5
[M+NH4]+ 303.191443 173.3
[M+K]+ 324.120778 174.9
[M+H-H2O]+ 268.154880 155.4
[M+HCOO]- 330.155821 181.5
[M+CH3COO]- 344.171471 209.4
[M+Na-2H]- 306.132286 170.1
[M]+ 285.15707142 185.0
[M]- 285.15816858 185.0
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.