CID 130154044

Methyl 9-amino-3-oxabicyclo[3.3.1]nonane-7-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
COC(=O)C1CC2COCC(C1)C2N
InChI
InChI=1S/C10H17NO3/c1-13-10(12)6-2-7-4-14-5-8(3-6)9(7)11/h6-9H,2-5,11H2,1H3
InChIKey
XSQSNXDQIAPWGI-UHFFFAOYSA-N
Compound name
methyl 9-amino-3-oxabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 143.0
[M+Na]+ 222.11007 147.7
[M-H]- 198.11357 145.2
[M+NH4]+ 217.15467 162.0
[M+K]+ 238.08401 147.7
[M+H-H2O]+ 182.11811 137.5
[M+HCOO]- 244.11905 158.9
[M+CH3COO]- 258.13470 187.0
[M+Na-2H]- 220.09552 147.7
[M]+ 199.12030 139.4
[M]- 199.12140 139.4
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.