CID 9570795

Brn 1880088

Structural Information

Molecular Formula
C12H18INO2
SMILES
C1C2CC3(CC1CC(C2)(C3)I)/C(=N/O)/CO
InChI
InChI=1S/C12H18INO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)10(6-15)14-16/h8-9,15-16H,1-7H2/b14-10+
InChIKey
MLHNROKYSLPYDF-GXDHUFHOSA-N
Compound name
(2Z)-2-hydroxyimino-2-(3-iodo-1-adamantyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.03824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04552 145.8
[M+Na]+ 358.02746 141.6
[M-H]- 334.03096 133.5
[M+NH4]+ 353.07206 166.5
[M+K]+ 374.00140 144.2
[M+H-H2O]+ 318.03550 137.1
[M+HCOO]- 380.03644 148.2
[M+CH3COO]- 394.05209 150.5
[M+Na-2H]- 356.01291 146.7
[M]+ 335.03769 142.6
[M]- 335.03879 142.6
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.