CID 503300

5-(1-adamantyl)-4h-isoxazol-5-ol

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1C=NOC1(C23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C13H19NO2/c15-13(1-2-14-16-13)12-6-9-3-10(7-12)5-11(4-9)8-12/h2,9-11,15H,1,3-8H2
InChIKey
SHZDROAHTCMEHM-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-4H-1,2-oxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 145.8
[M+Na]+ 244.13081 149.2
[M-H]- 220.13431 142.6
[M+NH4]+ 239.17541 171.2
[M+K]+ 260.10475 146.3
[M+H-H2O]+ 204.13885 138.1
[M+HCOO]- 266.13979 150.7
[M+CH3COO]- 280.15544 154.8
[M+Na-2H]- 242.11626 156.1
[M]+ 221.14104 145.2
[M]- 221.14214 145.2
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.