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

5
Patents

202.07423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 143.6
[M+Na]+ 225.063448 154.9
[M-H]- 201.066954 151.4
[M+NH4]+ 220.108053 155.2
[M+K]+ 241.037388 151.6
[M+H-H2O]+ 185.071490 135.7
[M+HCOO]- 247.072431 165.6
[M+CH3COO]- 261.088081 156.8
[M+Na-2H]- 223.048896 149.5
[M]+ 202.07368142 146.8
[M]- 202.07477858 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