CID 369186

111873-46-2

Structural Information

Molecular Formula
C9H7IO2
SMILES
C12C3C4C1(C5C2C3(C45)I)C(=O)O
InChI
InChI=1S/C9H7IO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)
InChIKey
UQMHINRLKQGLQV-UHFFFAOYSA-N
Compound name
4-iodocubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

273.94907 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.95635 201.2
[M+Na]+ 296.93829 200.1
[M-H]- 272.94179 203.0
[M+NH4]+ 291.98289 196.7
[M+K]+ 312.91223 205.4
[M+H-H2O]+ 256.94633 189.8
[M+HCOO]- 318.94727 201.7
[M+CH3COO]- 332.96292 259.9
[M+Na-2H]- 294.92374 193.3
[M]+ 273.94852 218.9
[M]- 273.94962 218.9
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.