CID 9570764

1-bromo-3-adamantyl hydroxymethyl ketone oxime

Structural Information

Molecular Formula
C12H18BrNO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)/C(=N/O)/CO
InChI
InChI=1S/C12H18BrNO2/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
KGZZLOGRMZBYFJ-GXDHUFHOSA-N
Compound name
(2Z)-2-(3-bromo-1-adamantyl)-2-hydroxyiminoethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0521 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05938 160.8
[M+Na]+ 310.04132 165.8
[M-H]- 286.04482 157.6
[M+NH4]+ 305.08592 187.0
[M+K]+ 326.01526 155.3
[M+H-H2O]+ 270.04936 160.9
[M+HCOO]- 332.05030 165.4
[M+CH3COO]- 346.06595 170.1
[M+Na-2H]- 308.02677 172.3
[M]+ 287.05155 177.5
[M]- 287.05265 177.5
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.