CID 168025092

Akos040805466

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)(C(=O)O)O
InChI
InChI=1S/C14H23NO5/c1-12(2,3)20-11(18)15-6-4-13(5-7-15)8-14(19,9-13)10(16)17/h19H,4-9H2,1-3H3,(H,16,17)
InChIKey
BQIBNBFOAOLHIU-UHFFFAOYSA-N
Compound name
2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 169.1
[M+Na]+ 308.14684 171.9
[M-H]- 284.15034 169.8
[M+NH4]+ 303.19144 179.6
[M+K]+ 324.12078 174.3
[M+H-H2O]+ 268.15488 160.0
[M+HCOO]- 330.15582 179.2
[M+CH3COO]- 344.17147 195.9
[M+Na-2H]- 306.13229 171.3
[M]+ 285.15707 174.8
[M]- 285.15817 174.8
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.