CID 9570763

Brn 1880082

Structural Information

Molecular Formula
C12H18ClNO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)/C(=N/O)/CO
InChI
InChI=1S/C12H18ClNO2/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
RUSFKRNLUJAEOR-GXDHUFHOSA-N
Compound name
(2Z)-2-(3-chloro-1-adamantyl)-2-hydroxyiminoethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1026 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10988 155.6
[M+Na]+ 266.09182 159.1
[M-H]- 242.09532 149.8
[M+NH4]+ 261.13642 181.8
[M+K]+ 282.06576 154.5
[M+H-H2O]+ 226.09986 151.4
[M+HCOO]- 288.10080 157.9
[M+CH3COO]- 302.11645 163.8
[M+Na-2H]- 264.07727 166.7
[M]+ 243.10205 156.7
[M]- 243.10315 156.7
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.