CID 9570759

3-adamantyl hydroxymethyl ketone oxime

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1C2CC3CC1CC(C2)(C3)/C(=N/O)/CO
InChI
InChI=1S/C12H19NO2/c14-7-11(13-15)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,14-15H,1-7H2/b13-11+
InChIKey
ISNBMIJYDKQPQY-ACCUITESSA-N
Compound name
(2Z)-2-(1-adamantyl)-2-hydroxyiminoethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.6
[M+Na]+ 232.13081 148.8
[M-H]- 208.13431 141.4
[M+NH4]+ 227.17541 172.2
[M+K]+ 248.10475 146.0
[M+H-H2O]+ 192.13885 142.3
[M+HCOO]- 254.13979 154.0
[M+CH3COO]- 268.15544 155.7
[M+Na-2H]- 230.11626 158.3
[M]+ 209.14104 146.2
[M]- 209.14214 146.2
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.