CID 139015571

2305354-71-4

Structural Information

Molecular Formula
C14H21NO3
SMILES
C=CC(=O)N1CCC2(CCC(CC2)C(=O)O)CC1
InChI
InChI=1S/C14H21NO3/c1-2-12(16)15-9-7-14(8-10-15)5-3-11(4-6-14)13(17)18/h2,11H,1,3-10H2,(H,17,18)
InChIKey
IMMOALCWPHJIHJ-UHFFFAOYSA-N
Compound name
3-prop-2-enoyl-3-azaspiro[5.5]undecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.0
[M+Na]+ 274.14137 162.8
[M-H]- 250.14487 161.2
[M+NH4]+ 269.18597 176.6
[M+K]+ 290.11531 160.1
[M+H-H2O]+ 234.14941 153.3
[M+HCOO]- 296.15035 171.9
[M+CH3COO]- 310.16600 190.1
[M+Na-2H]- 272.12682 160.3
[M]+ 251.15160 151.5
[M]- 251.15270 151.5
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.