CID 51826

73599-92-5

Structural Information

Molecular Formula
C12H17IO2
SMILES
C1C2CC3(CC1CC(C2)(C3)I)C(=O)CO
InChI
InChI=1S/C12H17IO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)10(15)6-14/h8-9,14H,1-7H2
InChIKey
NFGWXXQYJPQLGL-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(3-iodo-1-adamantyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02734 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03462 141.8
[M+Na]+ 343.01656 138.3
[M-H]- 319.02006 129.8
[M+NH4]+ 338.06116 163.3
[M+K]+ 358.99050 140.6
[M+H-H2O]+ 303.02460 133.1
[M+HCOO]- 365.02554 143.4
[M+CH3COO]- 379.04119 147.0
[M+Na-2H]- 341.00201 142.2
[M]+ 320.02679 139.1
[M]- 320.02789 139.1
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

No patent data available for this compound.