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]+ 200.128126 143.0
[M+Na]+ 222.110068 147.7
[M-H]- 198.113574 145.2
[M+NH4]+ 217.154673 162.0
[M+K]+ 238.084008 147.7
[M+H-H2O]+ 182.118110 137.5
[M+HCOO]- 244.119051 158.9
[M+CH3COO]- 258.134701 187.0
[M+Na-2H]- 220.095516 147.7
[M]+ 199.12030142 139.4
[M]- 199.12139858 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.