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 168.1
[M+Na]+ 308.14684 169.2
[M-H]- 284.15034 171.5
[M+NH4]+ 303.19144 173.3
[M+K]+ 324.12078 174.9
[M+H-H2O]+ 268.15488 155.4
[M+HCOO]- 330.15582 181.5
[M+CH3COO]- 344.17147 209.4
[M+Na-2H]- 306.13229 170.1
[M]+ 285.15707 185.0
[M]- 285.15817 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.