CID 135658472

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CC1C2=NC(=NO2)C3=CC=C(C=C3)O
InChI
InChI=1S/C11H10N2O2/c14-9-5-3-7(4-6-9)10-12-11(15-13-10)8-1-2-8/h3-6,8,14H,1-2H2
InChIKey
HNSHSGHQGRLQRJ-UHFFFAOYSA-N
Compound name
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

202.07423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 143.6
[M+Na]+ 225.06345 154.9
[M-H]- 201.06695 151.4
[M+NH4]+ 220.10805 155.2
[M+K]+ 241.03739 151.6
[M+H-H2O]+ 185.07149 135.7
[M+HCOO]- 247.07243 165.6
[M+CH3COO]- 261.08808 156.8
[M+Na-2H]- 223.04890 149.5
[M]+ 202.07368 146.8
[M]- 202.07478 146.8
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

patents stripe