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 166.1
[M+Na]+ 308.14684 167.5
[M-H]- 284.15034 169.7
[M+NH4]+ 303.19144 176.7
[M+K]+ 324.12078 171.8
[M+H-H2O]+ 268.15488 156.8
[M+HCOO]- 330.15582 179.1
[M+CH3COO]- 344.17147 199.6
[M+Na-2H]- 306.13229 170.8
[M]+ 285.15707 172.5
[M]- 285.15817 172.5
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.