CID 167730236

3-(2-cyclopropyl-1,3-oxazol-5-yl)cyclopent-2-en-1-ol

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC1C2=NC=C(O2)C3=CC(CC3)O
InChI
InChI=1S/C11H13NO2/c13-9-4-3-8(5-9)10-6-12-11(14-10)7-1-2-7/h5-7,9,13H,1-4H2
InChIKey
IHRCKDHAYDYTOC-UHFFFAOYSA-N
Compound name
3-(2-cyclopropyl-1,3-oxazol-5-yl)cyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 137.0
[M+Na]+ 214.083858 147.1
[M-H]- 190.087364 146.0
[M+NH4]+ 209.128463 152.0
[M+K]+ 230.057798 144.5
[M+H-H2O]+ 174.091900 131.0
[M+HCOO]- 236.092841 159.3
[M+CH3COO]- 250.108491 150.8
[M+Na-2H]- 212.069306 140.3
[M]+ 191.09409142 139.3
[M]- 191.09518858 139.3
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.