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]+ 286.164896 166.1
[M+Na]+ 308.146838 167.5
[M-H]- 284.150344 169.7
[M+NH4]+ 303.191443 176.7
[M+K]+ 324.120778 171.8
[M+H-H2O]+ 268.154880 156.8
[M+HCOO]- 330.155821 179.1
[M+CH3COO]- 344.171471 199.6
[M+Na-2H]- 306.132286 170.8
[M]+ 285.15707142 172.5
[M]- 285.15816858 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.