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]+ 192.10192 137.0
[M+Na]+ 214.08386 147.1
[M-H]- 190.08736 146.0
[M+NH4]+ 209.12846 152.0
[M+K]+ 230.05780 144.5
[M+H-H2O]+ 174.09190 131.0
[M+HCOO]- 236.09284 159.3
[M+CH3COO]- 250.10849 150.8
[M+Na-2H]- 212.06931 140.3
[M]+ 191.09409 139.3
[M]- 191.09519 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.