CID 39240

3-iodoadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15IO2
SMILES
C1C2CC3(CC1CC(C2)(C3)I)C(=O)O
InChI
InChI=1S/C11H15IO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey
VMCNPOBDWYHJAP-UHFFFAOYSA-N
Compound name
3-iodoadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.0117 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01898 137.0
[M+Na]+ 329.00092 134.0
[M-H]- 305.00442 125.2
[M+NH4]+ 324.04552 159.1
[M+K]+ 344.97486 136.5
[M+H-H2O]+ 289.00896 128.5
[M+HCOO]- 351.00990 139.0
[M+CH3COO]- 365.02555 142.7
[M+Na-2H]- 326.98637 138.0
[M]+ 306.01115 134.1
[M]- 306.01225 134.1
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