CID 155821395

2445790-37-2

Structural Information

Molecular Formula
C11H19NO3
SMILES
COC(=O)C1CC2(C1)CCCC(O2)CN
InChI
InChI=1S/C11H19NO3/c1-14-10(13)8-5-11(6-8)4-2-3-9(7-12)15-11/h8-9H,2-7,12H2,1H3
InChIKey
CCYJTZHVJGVJAA-UHFFFAOYSA-N
Compound name
methyl 6-(aminomethyl)-5-oxaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 145.8
[M+Na]+ 236.12571 148.9
[M-H]- 212.12921 150.8
[M+NH4]+ 231.17031 158.3
[M+K]+ 252.09965 152.4
[M+H-H2O]+ 196.13375 135.2
[M+HCOO]- 258.13469 162.8
[M+CH3COO]- 272.15034 190.6
[M+Na-2H]- 234.11116 149.7
[M]+ 213.13594 151.1
[M]- 213.13704 151.1
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.