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

5
Patents

183.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 138.1
[M+Na]+ 206.07876 142.8
[M-H]- 182.08226 139.4
[M+NH4]+ 201.12336 157.1
[M+K]+ 222.05270 145.2
[M+H-H2O]+ 166.08680 130.5
[M+HCOO]- 228.08774 150.6
[M+CH3COO]- 242.10339 149.7
[M+Na-2H]- 204.06421 144.1
[M]+ 183.08899 148.2
[M]- 183.09009 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