CID 126836662

2094288-79-4

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1C2CC13COC(CN3C2)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-8(12)7-4-10-3-6-1-9(10,2-6)5-13-7/h6-7H,1-5H2,(H,11,12)
InChIKey
NCYZTCDXDVNMAT-UHFFFAOYSA-N
Compound name
3-oxa-6-azatricyclo[6.1.1.01,6]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 138.1
[M+Na]+ 206.078758 142.8
[M-H]- 182.082264 139.4
[M+NH4]+ 201.123363 157.1
[M+K]+ 222.052698 145.2
[M+H-H2O]+ 166.086800 130.5
[M+HCOO]- 228.087741 150.6
[M+CH3COO]- 242.103391 149.7
[M+Na-2H]- 204.064206 144.1
[M]+ 183.08899142 148.2
[M]- 183.09008858 148.2
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

patents stripe