CID 121207788

1823271-75-5

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCOCC2)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-12(2,3)20-11(18)15-14(10(16)17)8-13(9-14)4-6-19-7-5-13/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
QTQPYFODPLXYSO-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 170.8
[M+Na]+ 308.14684 172.0
[M+NH4]+ 303.19144 174.5
[M+K]+ 324.12078 168.4
[M-H]- 284.15034 168.3
[M+Na-2H]- 306.13229 171.7
[M]+ 285.15707 168.9
[M]- 285.15817 168.9
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.