CID 548743

2-iodo-5-oxo-4-oxa-tricyclo(4.2.1.0(3,7))nonane-9-carboxylic acid

Structural Information

Molecular Formula
C9H9IO4
SMILES
C1C2C3C(C1C(C2OC3=O)I)C(=O)O
InChI
InChI=1S/C9H9IO4/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7H,1H2,(H,11,12)
InChIKey
NHGLFZIQXAGSGN-UHFFFAOYSA-N
Compound name
2-iodo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.95456 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.96184 148.8
[M+Na]+ 330.94378 148.5
[M+NH4]+ 325.98838 152.4
[M+K]+ 346.91772 153.6
[M-H]- 306.94728 141.9
[M+Na-2H]- 328.92923 133.5
[M]+ 307.95401 145.3
[M]- 307.95511 145.3
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